data_BaGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGeTe2
_chemical_formula_sum   'Ba1 Ge1 Te2'
_cell_volume   129.91
_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  0.98  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.68  0.0  0.78  1.0
  Te  Te3  1  0.68  0.0  0.19  1.0

data_BaGeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGeTe2
_chemical_formula_sum   'Ba1 Ge1 Te2'
_cell_volume   129.91
_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  0.98  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.68  0.0  0.19  1.0
  Te  Te3  1  0.68  0.0  0.78  1.0

Ba Ge Te Te
Ba Ge Te Te 0 1 o o + 0 2 - o o 0 3 - o + 1 2 - o - 1 3 - o o 