data_CoBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   138.96
_cell_angle_beta   138.96
_cell_angle_gamma   59.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Pd
_chemical_formula_sum   'Co1 Bi2 Pd1'
_cell_volume   83.54
_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  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.04  1.0
  Bi  Bi1  1  0.0  0.04  0.52  1.0
  Pd  Pd3  1  0.04  0.0  0.52  1.0

data_CoBi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.81
_cell_angle_alpha   110.52
_cell_angle_beta   110.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Pd
_chemical_formula_sum   'Co1 Bi2 Pd1'
_cell_volume   83.54
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.51  0.04  0.51  1.0
  Bi  Bi2  1  0.96  0.0  0.96  1.0
  Pd  Pd3  1  0.48  0.0  0.51  1.0

Co Bi Bi Pd
Co Bi Bi Pd 0 1 o o o 2 3 o o o 