data_TiBW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   141.49
_cell_angle_beta   124.54
_cell_angle_gamma   69.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBW2
_chemical_formula_sum   'Ti1 B1 W2'
_cell_volume   55.34
_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
  Ti  Ti1  1  0.58  0.0  0.2  1.0
  B  B0  1  0.0  0.0  0.98  1.0
  W  W2  1  0.0  0.0  0.85  1.0
  W  W3  1  0.0  0.23  0.7  1.0

data_TiBW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.46
_cell_length_c   4.79
_cell_angle_alpha   117.73
_cell_angle_beta   109.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBW2
_chemical_formula_sum   'Ti1 B1 W2'
_cell_volume   55.34
_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
  Ti  Ti0  1  0.0  0.2  0.62  1.0
  B  B1  1  0.0  0.98  0.98  1.0
  W  W2  1  0.0  0.85  0.85  1.0
  W  W3  1  0.77  0.47  0.47  1.0

Ti B W W