data_YInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   152.04
_cell_angle_beta   148.73
_cell_angle_gamma   42.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInSe2
_chemical_formula_sum   'Y1 In1 Se2'
_cell_volume   111.37
_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  0.57  1.0
  In  In0  1  0.0  0.08  0.06  1.0
  Se  Se1  1  0.0  0.0  0.31  1.0
  Se  Se2  1  0.86  0.0  0.44  1.0

data_YInSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.16
_cell_length_c   7.71
_cell_angle_alpha   105.63
_cell_angle_beta   103.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInSe2
_chemical_formula_sum   'Y1 In1 Se2'
_cell_volume   111.37
_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  0.57  0.57  1.0
  In  In1  1  0.92  0.98  0.98  1.0
  Se  Se2  1  0.0  0.31  0.31  1.0
  Se  Se3  1  0.0  0.44  0.58  1.0

Y In Se Se
Y In Se Se 0 3 - o o 0 2 o o o 1 2 o o o 2 3 - o o 