data_TaTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   7.35
_cell_angle_alpha   120.7
_cell_angle_beta   120.7
_cell_angle_gamma   26.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2Br
_chemical_formula_sum   'Ta1 Te2 Br1'
_cell_volume   144.03
_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  Ta1  1  0.08  0.0  0.46  1.0
  Te  Te2  1  0.25  0.0  0.47  1.0
  Te  Te3  1  0.66  0.0  0.06  1.0
  Br  Br0  1  0.06  0.0  0.66  1.0

data_TaTe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   7.14
_cell_length_c   7.17
_cell_angle_alpha   61.87
_cell_angle_beta   76.64
_cell_angle_gamma   76.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2Br
_chemical_formula_sum   'Ta1 Te2 Br1'
_cell_volume   144.03
_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  0.0  0.63  0.46  1.0
  Te  Te1  1  0.0  0.61  0.06  1.0
  Te  Te2  1  0.0  0.77  0.47  1.0
  Br  Br3  1  0.0  0.4  0.66  1.0

Ta Te Te Br