data_BaNbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   153.61
_cell_angle_beta   151.88
_cell_angle_gamma   38.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbTe2
_chemical_formula_sum   'Ba1 Nb1 Te2'
_cell_volume   121.72
_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  0.91  0.0  0.09  1.0
  Nb  Nb1  1  0.0  0.0  0.2  1.0
  Te  Te2  1  0.91  0.0  0.15  1.0
  Te  Te3  1  0.0  0.0  0.17  1.0

data_BaNbTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.06
_cell_length_c   8.35
_cell_angle_alpha   104.06
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbTe2
_chemical_formula_sum   'Ba1 Nb1 Te2'
_cell_volume   121.72
_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  0.81  0.91  0.81  1.0
  Nb  Nb1  1  0.8  0.8  0.8  1.0
  Te  Te2  1  0.76  0.85  0.76  1.0
  Te  Te3  1  0.83  0.83  0.83  1.0

Ba Nb Te Te