data_CrIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   142.65
_cell_angle_beta   129.4
_cell_angle_gamma   64.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Mo
_chemical_formula_sum   'Cr1 In2 Mo1'
_cell_volume   69.85
_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
  In  In1  1  0.0  0.28  0.33  1.0
  In  In2  1  0.7  0.0  0.17  1.0
  Mo  Mo3  1  0.0  0.0  0.5  1.0

data_CrIn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.55
_cell_length_c   5.32
_cell_angle_alpha   115.3
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Mo
_chemical_formula_sum   'Cr1 In2 Mo1'
_cell_volume   69.85
_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
  In  In1  1  0.53  0.83  0.53  1.0
  In  In2  1  0.67  0.94  0.94  1.0
  Mo  Mo3  1  0.5  0.5  0.5  1.0

Cr In In Mo