data_BaSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   5.39
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Te
_chemical_formula_sum   'Ba1 Si2 Te1'
_cell_volume   123.27
_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  0.02  0.0  0.79  1.0
  Si  Si1  1  0.93  0.69  0.89  1.0
  Si  Si2  1  0.1  0.69  0.68  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.39
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Te
_chemical_formula_sum   'Ba1 Si2 Te1'
_cell_volume   123.27
_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  0.02  0.0  0.79  1.0
  Si  Si1  1  0.1  0.69  0.68  1.0
  Si  Si2  1  0.93  0.69  0.89  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba Si Si Te