data_[Ta2Te4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9515]
_cell_length_b [7.2093]
_cell_length_c [12.5946]
_cell_angle_alpha [84.4113]
_cell_angle_beta [81.5796]
_cell_angle_gamma [84.4614]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta(TeBr3)2]
_chemical_formula_sum '[Ta2 Te4 Br12]'
_cell_volume [619.2310]
_cell_formula_units_Z [2]
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  2  0.2045  0.6705  0.1867  1
  Te  Te1  2  0.2630  0.1611  0.5285  1
  Te  Te2  2  0.4206  0.8431  0.6285  1
  Br  Br3  2  0.0370  0.9812  0.2647  1
  Br  Br4  2  0.0933  0.7529  0.0109  1
  Br  Br5  2  0.1105  0.4749  0.7387  1
  Br  Br6  2  0.3050  0.5820  0.3822  1
  Br  Br7  2  0.3730  0.3682  0.1348  1
  Br  Br8  2  0.4978  0.1572  0.8595  1
]