data_CrBiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiPd
_chemical_formula_sum   'Cr1 Bi1 Pd1'
_cell_volume   55.96
_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
  Cr  Cr1  1  0.0  0.0  0.3  1.0
  Bi  Bi0  1  0.57  0.91  0.09  1.0
  Pd  Pd2  1  0.0  0.82  0.15  1.0

data_CrBiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiPd
_chemical_formula_sum   'Cr1 Bi1 Pd1'
_cell_volume   55.96
_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
  Cr  Cr0  1  0.0  0.0  0.3  1.0
  Bi  Bi1  1  0.57  0.91  0.09  1.0
  Pd  Pd2  1  0.0  0.82  0.15  1.0

Cr Bi Pd
Cr Bi Pd 0 2 o - o 0 1 - - o 1 2 o o o 1 2 + o o 