data_CrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   5.07
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn
_chemical_formula_sum   'Cr2 In2'
_cell_volume   80.53
_cell_formula_units_Z   2
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  0.83  1.0
  Cr  Cr1  1  0.66  0.54  0.96  1.0
  In  In2  1  0.66  0.0  0.46  1.0
  In  In3  1  0.0  0.54  0.33  1.0

data_CrIn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.31
_cell_length_b   4.79
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrIn
_chemical_formula_sum   'Cr2 In2'
_cell_volume   80.53
_cell_formula_units_Z   2
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  2  0.17  0.93  0.23  1.0
  In  In1  2  0.17  0.44  0.77  1.0

Cr Cr In In