data_TiAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.62
_cell_angle_alpha   102.91
_cell_angle_beta   102.91
_cell_angle_gamma   45.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2W
_chemical_formula_sum   'Ti1 As2 W1'
_cell_volume   67.29
_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  Ti2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.38  0.0  0.44  1.0
  As  As1  1  0.89  0.0  0.02  1.0
  W  W3  1  0.14  0.0  0.73  1.0

data_TiAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.15
_cell_length_c   5.62
_cell_angle_alpha   102.91
_cell_angle_beta   90.0
_cell_angle_gamma   112.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2W
_chemical_formula_sum   'Ti1 As2 W1'
_cell_volume   67.29
_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  0.0  0.0  1.0
  As  As1  1  0.0  0.11  0.98  1.0
  As  As2  1  0.0  0.62  0.56  1.0
  W  W3  1  0.0  0.86  0.27  1.0

Ti As As W