data_BaSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   5.42
_cell_angle_alpha   104.97
_cell_angle_beta   104.97
_cell_angle_gamma   41.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2Te
_chemical_formula_sum   'Ba1 Sn2 Te1'
_cell_volume   138.24
_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  0.16  0.0  0.6  1.0
  Sn  Sn1  1  0.52  0.0  0.92  1.0
  Sn  Sn2  1  0.8  0.0  0.29  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   5.42
_cell_length_c   6.32
_cell_angle_alpha   104.97
_cell_angle_beta   110.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2Te
_chemical_formula_sum   'Ba1 Sn2 Te1'
_cell_volume   138.24
_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  0.6  0.16  1.0
  Sn  Sn1  1  0.0  0.29  0.8  1.0
  Sn  Sn2  1  0.0  0.92  0.52  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba Sn Sn Te