data_InSi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   140.65
_cell_angle_beta   140.65
_cell_angle_gamma   56.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Se
_chemical_formula_sum   'In1 Si2 Se1'
_cell_volume   82.54
_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  0.99  0.0  0.6  1.0
  Si  Si2  1  0.0  0.99  0.6  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.2  1.0

data_InSi2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   118.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSi2Se
_chemical_formula_sum   'In2 Si4 Se2'
_cell_volume   165.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.49  0.5  0.39  1.0
  Si  Si1  2  0.49  0.5  0.39  1.0
  Si  Si2  2  0.5  0.5  0.0  1.0
  Se  Se3  2  0.5  0.5  0.8  1.0

In Si Si Se
In Si Si Se 0 1 + - o 2 3 o o o 