data_BWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.78
_cell_angle_alpha   95.15
_cell_angle_beta   95.15
_cell_angle_gamma   48.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BWSe2
_chemical_formula_sum   'B1 W1 Se2'
_cell_volume   79.44
_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
  B  B0  1  0.03  0.0  0.51  1.0
  W  W3  1  0.16  0.0  0.0  1.0
  Se  Se1  1  0.56  0.0  0.95  1.0
  Se  Se2  1  0.42  0.0  0.4  1.0

data_BWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.96
_cell_length_c   6.78
_cell_angle_alpha   95.15
_cell_angle_beta   90.0
_cell_angle_gamma   114.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BWSe2
_chemical_formula_sum   'B1 W1 Se2'
_cell_volume   79.44
_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
  B  B0  1  0.0  0.97  0.49  1.0
  W  W1  1  0.0  0.84  1.0  1.0
  Se  Se2  1  0.0  0.44  0.05  1.0
  Se  Se3  1  0.0  0.58  0.6  1.0

B W Se Se
B W Se Se 0 3 o o o 1 2 o o - 