data_InMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.27
_cell_angle_alpha   104.82
_cell_angle_beta   104.82
_cell_angle_gamma   37.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMo2Se
_chemical_formula_sum   'In1 Mo2 Se1'
_cell_volume   76.86
_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  0.72  0.0  0.07  1.0
  Mo  Mo1  1  0.86  0.0  0.86  1.0
  Mo  Mo2  1  0.46  0.0  0.69  1.0
  Se  Se3  1  0.06  0.0  0.06  1.0

data_InMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.99
_cell_length_c   5.27
_cell_angle_alpha   104.82
_cell_angle_beta   90.0
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMo2Se
_chemical_formula_sum   'In1 Mo2 Se1'
_cell_volume   76.86
_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  0.28  0.93  1.0
  Mo  Mo1  1  0.0  0.14  0.14  1.0
  Mo  Mo2  1  0.0  0.54  0.31  1.0
  Se  Se3  1  0.0  0.94  0.94  1.0

In Mo Mo Se