data_YIn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   25.74
_cell_angle_beta   25.74
_cell_angle_gamma   25.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Se
_chemical_formula_sum   'Y1 In2 Se1'
_cell_volume   115.04
_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
  Y  Y3  1  0.0  0.0  0.48  1.0
  In  In0  1  0.0  0.0  0.02  1.0
  In  In1  1  0.0  0.0  0.4  1.0
  Se  Se2  1  0.0  0.0  0.57  1.0

data_YIn2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   3.94
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YIn2Se
_chemical_formula_sum   'Y2 In4 Se2'
_cell_volume   230.08
_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
  Y  Y0  2  -0.0  0.0  0.52  1.0
  In  In1  2  -0.0  0.0  0.6  1.0
  In  In2  2  -0.0  0.0  0.98  1.0
  Se  Se3  2  -0.0  0.0  0.43  1.0

Y In In Se