data_[Co3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.5980]
_cell_length_b [4.1419]
_cell_length_c [4.5168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Co3Pd]
_chemical_formula_sum '[Co3 Pd1]'
_cell_volume [48.6048]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Co  Co0  1  0.0000  0.0000  0.9870  1.0
  Co  Co1  1  0.5000  0.0000  0.5199  1.0
  Co  Co2  1  0.5000  0.5000  0.8294  1.0
  Pd  Pd3  1  0.0000  0.5000  0.3304  1.0
]