data_Ta2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2WCl
_chemical_formula_sum   'Ta2 W1 Cl1'
_cell_volume   78.79
_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
  Ta  Ta1  1  0.61  0.0  0.1  1.0
  Ta  Ta2  1  0.0  0.0  0.72  1.0
  W  W3  1  0.61  0.0  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.92  1.0

data_Ta2WCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2WCl
_chemical_formula_sum   'Ta2 W1 Cl1'
_cell_volume   78.79
_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
  Ta  Ta0  1  0.0  0.0  0.72  1.0
  Ta  Ta1  1  0.61  0.0  0.1  1.0
  W  W2  1  0.61  0.0  0.58  1.0
  Cl  Cl3  1  0.0  0.0  0.92  1.0

Ta Ta W Cl