data_BaB2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.13
_cell_angle_alpha   108.87
_cell_angle_beta   108.87
_cell_angle_gamma   77.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2Te
_chemical_formula_sum   'Ba1 B2 Te1'
_cell_volume   90.25
_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  Ba2  1  0.91  0.0  0.79  1.0
  B  B0  1  0.03  0.0  0.07  1.0
  B  B1  1  0.8  0.0  0.52  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaB2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.13
_cell_angle_alpha   71.13
_cell_angle_beta   71.13
_cell_angle_gamma   77.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2Te
_chemical_formula_sum   'Ba1 B2 Te1'
_cell_volume   90.25
_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  0.09  0.0  0.79  1.0
  B  B1  1  0.2  0.0  0.52  1.0
  B  B2  1  0.97  0.0  0.07  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba B B Te