data_Ta2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   20.68
_cell_angle_beta   20.68
_cell_angle_gamma   20.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TeBr
_chemical_formula_sum   'Ta2 Te1 Br1'
_cell_volume   79.69
_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  0.0  0.0  0.58  1.0
  Ta  Ta2  1  0.0  0.0  0.84  1.0
  Te  Te3  1  0.0  0.0  0.21  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ta2TeBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   3.23
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   101.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2TeBr
_chemical_formula_sum   'Ta4 Te2 Br2'
_cell_volume   159.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.42  1.0
  Ta  Ta1  2  -0.0  0.0  0.16  1.0
  Te  Te2  2  0.0  0.0  0.79  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Ta Ta Te Br