data_1527060
_publ_section_title
;
 A new Ca Cu5-structure in the (Ca, Pd) system
;
_journal_name_full               'Scripta Metallurgica'
_journal_page_first              1697
_journal_page_last               1700
_journal_volume                  24
_journal_year                    1990
_chemical_formula_sum            'Ca Pd5'
_chemical_name_systematic        'Ca Pd5'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.147
_cell_length_b                   5.147
_cell_length_c                   4.224
_cell_volume                     96.909
_citation_journal_id_ASTM        SCRMBU
_cod_data_source_file            Abe_SCRMBU_1990_255.cif
_cod_data_source_block           Ca1Pd5
_cod_original_cell_volume        96.90871
_cod_chemical_formula_sum_orig   'Ca1 Pd5'
_cod_database_code               1527060
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca1 Ca 0 0 0 1 0.0
Pd2 Pd 0.5 0 0.5 1 0.0
Pd1 Pd 0.3333 0.6667 0 1 0.0
