data_CrInOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.89
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInOs2
_chemical_formula_sum   'Cr1 In1 Os2'
_cell_volume   62.68
_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  0.76  0.0  0.69  1.0
  In  In1  1  0.33  0.95  0.28  1.0
  Os  Os2  1  0.82  0.0  0.17  1.0
  Os  Os3  1  0.4  0.95  0.44  1.0

data_CrInOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.89
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInOs2
_chemical_formula_sum   'Cr1 In1 Os2'
_cell_volume   62.68
_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  0.76  0.0  0.69  1.0
  In  In1  1  0.33  0.95  0.28  1.0
  Os  Os2  1  0.4  0.95  0.44  1.0
  Os  Os3  1  0.82  0.0  0.17  1.0

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