data_YSeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   149.12
_cell_angle_beta   149.12
_cell_angle_gamma   44.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSeBr
_chemical_formula_sum   'Y1 Se1 Br1'
_cell_volume   82.88
_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  Y2  1  0.0  0.0  0.6  1.0
  Se  Se1  1  0.0  0.0  0.67  1.0
  Br  Br0  1  0.0  0.0  0.34  1.0

data_YSeBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   112.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSeBr
_chemical_formula_sum   'Y2 Se2 Br2'
_cell_volume   165.76
_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  0.4  1.0
  Se  Se1  2  0.0  0.0  0.33  1.0
  Br  Br2  2  0.0  0.0  0.66  1.0

Y Se Br