data_CrIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.12
_cell_angle_alpha   100.49
_cell_angle_beta   100.49
_cell_angle_gamma   34.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Mo
_chemical_formula_sum   'Cr1 In2 Mo1'
_cell_volume   70.89
_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  0.67  0.0  0.79  1.0
  In  In2  1  0.84  0.0  0.23  1.0
  Mo  Mo3  1  0.26  0.0  0.51  1.0

data_CrIn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.97
_cell_length_c   5.12
_cell_angle_alpha   100.49
_cell_angle_beta   90.0
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Mo
_chemical_formula_sum   'Cr1 In2 Mo1'
_cell_volume   70.89
_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  0.16  0.77  1.0
  In  In2  1  0.0  0.33  0.21  1.0
  Mo  Mo3  1  0.0  0.74  0.49  1.0

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