data_InSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   7.14
_cell_angle_alpha   150.45
_cell_angle_beta   148.75
_cell_angle_gamma   43.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiSe2
_chemical_formula_sum   'In1 Si1 Se2'
_cell_volume   92.8
_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  0.92  0.7  1.0
  Si  Si3  1  0.0  0.0  0.07  1.0
  Se  Se1  1  0.0  0.0  0.38  1.0
  Se  Se2  1  0.82  0.0  0.1  1.0

data_InSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.85
_cell_length_c   7.14
_cell_angle_alpha   105.62
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiSe2
_chemical_formula_sum   'In1 Si1 Se2'
_cell_volume   92.8
_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  0.3  0.22  0.22  1.0
  Si  Si1  1  0.93  0.93  0.93  1.0
  Se  Se2  1  0.62  0.62  0.62  1.0
  Se  Se3  1  0.72  0.9  0.72  1.0

In Si Se Se