data_In(Mo3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   89.17
_cell_angle_beta   89.17
_cell_angle_gamma   89.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In(Mo3Se4)2
_chemical_formula_sum   'In1 Mo6 Se8'
_cell_volume   327.49
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.12  0.28  0.2  1.0
  Mo  Mo2  1  0.55  0.12  0.2  1.0
  Mo  Mo3  1  0.33  0.59  0.2  1.0
  Mo  Mo4  1  0.88  0.72  0.91  1.0
  Mo  Mo5  1  0.45  0.88  0.91  1.0
  Mo  Mo6  1  0.67  0.41  0.91  1.0
  Se  Se7  1  0.0  0.0  0.19  1.0
  Se  Se8  1  0.0  0.0  0.92  1.0
  Se  Se9  1  0.75  0.53  0.07  1.0
  Se  Se10  1  0.99  0.72  0.07  1.0
  Se  Se11  1  0.27  0.75  0.07  1.0
  Se  Se12  1  0.25  0.47  0.04  1.0
  Se  Se13  1  0.01  0.28  0.04  1.0
  Se  Se14  1  0.73  0.25  0.04  1.0

data_In(Mo3Se4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   89.17
_cell_angle_beta   89.17
_cell_angle_gamma   89.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In(Mo3Se4)2
_chemical_formula_sum   'In1 Mo6 Se8'
_cell_volume   327.49
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.12  0.55  0.09  1.0
  Mo  Mo2  1  0.28  0.12  0.09  1.0
  Mo  Mo3  1  0.41  0.67  0.8  1.0
  Mo  Mo4  1  0.59  0.33  0.09  1.0
  Mo  Mo5  1  0.72  0.88  0.8  1.0
  Mo  Mo6  1  0.88  0.45  0.8  1.0
  Se  Se7  1  0.0  0.0  0.08  1.0
  Se  Se8  1  0.0  0.0  0.81  1.0
  Se  Se9  1  0.25  0.73  0.93  1.0
  Se  Se10  1  0.28  0.01  0.93  1.0
  Se  Se11  1  0.47  0.25  0.93  1.0
  Se  Se12  1  0.53  0.75  0.96  1.0
  Se  Se13  1  0.72  0.99  0.96  1.0
  Se  Se14  1  0.75  0.27  0.96  1.0

In Mo Mo Mo Mo Mo Mo Se Se Se Se Se Se Se Se