data_YSeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   132.8
_cell_angle_beta   132.8
_cell_angle_gamma   68.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSeBr2
_chemical_formula_sum   'Y1 Se1 Br2'
_cell_volume   97.37
_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  0.28  0.0  0.35  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.69  1.0
  Br  Br1  1  0.0  0.28  0.35  1.0

data_YSeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.69
_cell_angle_alpha   113.6
_cell_angle_beta   113.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSeBr2
_chemical_formula_sum   'Y1 Se1 Br2'
_cell_volume   97.37
_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  0.35  0.07  0.07  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.07  0.35  0.07  1.0
  Br  Br3  1  0.69  0.69  0.69  1.0

Y Se Br Br