data_Cr2GaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   2.69
_cell_angle_alpha   91.03
_cell_angle_beta   91.03
_cell_angle_gamma   113.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaOs
_chemical_formula_sum   'Cr2 Ga1 Os1'
_cell_volume   52.77
_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  0.23  0.93  0.34  1.0
  Cr  Cr1  1  0.23  0.07  0.34  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.54  0.0  0.0  1.0

data_Cr2GaOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   113.41
_cell_angle_beta   91.03
_cell_angle_gamma   91.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaOs
_chemical_formula_sum   'Cr2 Ga1 Os1'
_cell_volume   52.77
_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  0.34  0.23  0.93  1.0
  Cr  Cr1  1  0.34  0.23  0.07  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.54  0.0  1.0

Cr Cr Ga Os
Cr Cr Ga Os 0 1 o + o 0 2 o + o 0 3 o + o 1 2 o o o 1 3 o o o 