data_BaBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   133.49
_cell_angle_beta   116.16
_cell_angle_gamma   82.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiTe2
_chemical_formula_sum   'Ba1 Bi1 Te2'
_cell_volume   146.04
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.62  1.0
  Te  Te2  1  0.43  0.0  0.66  1.0
  Te  Te3  1  0.0  0.25  0.96  1.0

data_BaBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   63.84
_cell_angle_beta   66.75
_cell_angle_gamma   66.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiTe2
_chemical_formula_sum   'Ba1 Bi1 Te2'
_cell_volume   146.04
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.62  0.0  0.38  1.0
  Te  Te2  1  0.23  0.43  0.34  1.0
  Te  Te3  1  0.96  0.0  0.29  1.0

Ba Bi Te Te