data_In2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.16
_cell_angle_alpha   106.82
_cell_angle_beta   106.82
_cell_angle_gamma   28.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiMo
_chemical_formula_sum   'In2 Si1 Mo1'
_cell_volume   78.52
_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
  In  In0  1  0.13  0.0  0.25  1.0
  In  In1  1  0.4  0.0  0.39  1.0
  Si  Si3  1  0.41  0.0  0.16  1.0
  Mo  Mo2  1  0.42  0.0  0.59  1.0

data_In2SiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.16
_cell_length_c   5.74
_cell_angle_alpha   106.82
_cell_angle_beta   104.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiMo
_chemical_formula_sum   'In2 Si1 Mo1'
_cell_volume   78.52
_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
  In  In0  1  0.0  0.25  0.13  1.0
  In  In1  1  0.0  0.39  0.4  1.0
  Si  Si2  1  0.0  0.16  0.41  1.0
  Mo  Mo3  1  0.0  0.59  0.42  1.0

In In Si Mo