data_InSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   133.37
_cell_angle_beta   133.37
_cell_angle_gamma   68.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2Mo
_chemical_formula_sum   'In1 Sn2 Mo1'
_cell_volume   87.8
_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  0.19  0.29  1.0
  Sn  Sn2  1  0.19  0.0  0.29  1.0
  Sn  Sn3  1  0.0  0.0  0.58  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_InSn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.53
_cell_angle_alpha   113.32
_cell_angle_beta   113.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2Mo
_chemical_formula_sum   'In1 Sn2 Mo1'
_cell_volume   87.8
_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  0.9  0.19  0.9  1.0
  Sn  Sn1  1  0.42  0.0  0.42  1.0
  Sn  Sn2  1  0.71  0.0  0.9  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

In Sn Sn Mo
In Sn Sn Mo 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o + 