data_LaBW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.59
_cell_angle_alpha   104.73
_cell_angle_beta   104.73
_cell_angle_gamma   39.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBW2
_chemical_formula_sum   'La1 B1 W2'
_cell_volume   76.64
_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
  La  La1  1  0.69  0.0  0.69  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.82  0.0  0.59  1.0
  W  W3  1  0.56  0.0  0.79  1.0

data_LaBW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.73
_cell_length_c   5.59
_cell_angle_alpha   104.73
_cell_angle_beta   90.0
_cell_angle_gamma   109.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBW2
_chemical_formula_sum   'La1 B1 W2'
_cell_volume   76.64
_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
  La  La0  1  0.0  0.31  0.31  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.18  0.41  1.0
  W  W3  1  0.0  0.44  0.21  1.0

La B W W