data_BaSiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   131.57
_cell_angle_beta   130.1
_cell_angle_gamma   72.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSiTe
_chemical_formula_sum   'Ba1 Si1 Te1'
_cell_volume   107.22
_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  0.07  1.0
  Si  Si1  1  0.0  0.0  0.38  1.0
  Te  Te2  1  0.0  0.0  0.88  1.0

data_BaSiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.86
_cell_length_c   5.77
_cell_angle_alpha   114.95
_cell_angle_beta   114.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSiTe
_chemical_formula_sum   'Ba1 Si1 Te1'
_cell_volume   107.22
_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  0.07  0.07  1.0
  Si  Si1  1  0.0  0.38  0.38  1.0
  Te  Te2  1  0.0  0.88  0.88  1.0

Ba Si Te
Ba Si Te 0 2 o o - 0 1 o o o 