data_TaNb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   151.05
_cell_angle_beta   128.99
_cell_angle_gamma   59.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Cl
_chemical_formula_sum   'Ta1 Nb2 Cl1'
_cell_volume   70.03
_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  Ta3  1  0.0  0.46  0.29  1.0
  Nb  Nb1  1  0.0  0.46  0.66  1.0
  Nb  Nb2  1  0.0  0.0  0.5  1.0
  Cl  Cl0  1  0.0  0.0  0.44  1.0

data_TaNb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.93
_cell_length_c   5.72
_cell_angle_alpha   115.5
_cell_angle_beta   104.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Cl
_chemical_formula_sum   'Ta1 Nb2 Cl1'
_cell_volume   70.03
_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  0.54  0.83  0.83  1.0
  Nb  Nb1  1  0.0  0.5  0.5  1.0
  Nb  Nb2  1  0.54  0.2  0.2  1.0
  Cl  Cl3  1  0.0  0.44  0.44  1.0

Ta Nb Nb Cl