data_CrOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.0
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOsPd2
_chemical_formula_sum   'Cr1 Os1 Pd2'
_cell_volume   56.67
_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  0.0  1.0
  Os  Os1  1  0.0  0.0  0.66  1.0
  Pd  Pd2  1  0.33  1.0  1.0  1.0
  Pd  Pd3  1  0.33  1.0  0.31  1.0

data_CrOsPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.67
_cell_length_b   4.0
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrOsPd2
_chemical_formula_sum   'Cr1 Os1 Pd2'
_cell_volume   56.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Os  Os1  1  0.0  0.0  0.66  1.0
  Pd  Pd2  1  0.33  0.0  0.31  1.0
  Pd  Pd3  1  0.33  0.0  1.0  1.0

Cr Os Pd Pd
Cr Os Pd Pd 0 2 o - - 0 1 o o - 0 3 o - o 1 3 o - o 1 2 o - o 2 3 o o + 