data_YIn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.38
_cell_angle_alpha   106.12
_cell_angle_beta   106.12
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Se
_chemical_formula_sum   'Y1 In2 Se1'
_cell_volume   103.47
_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  0.6  0.0  0.88  1.0
  In  In0  1  0.89  0.0  0.92  1.0
  In  In1  1  0.19  0.0  0.15  1.0
  Se  Se2  1  0.62  0.0  0.9  1.0

data_YIn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.38
_cell_length_c   5.59
_cell_angle_alpha   106.12
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Se
_chemical_formula_sum   'Y1 In2 Se1'
_cell_volume   103.47
_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  Y0  1  0.0  0.88  0.6  1.0
  In  In1  1  0.0  0.15  0.19  1.0
  In  In2  1  0.0  0.92  0.89  1.0
  Se  Se3  1  0.0  0.9  0.62  1.0

Y In In Se