data_BaSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   146.31
_cell_angle_beta   139.52
_cell_angle_gamma   53.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Sn
_chemical_formula_sum   'Ba1 Si2 Sn1'
_cell_volume   110.4
_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  0.96  0.0  0.57  1.0
  Si  Si1  1  0.0  0.0  0.66  1.0
  Si  Si2  1  0.0  0.34  0.11  1.0
  Sn  Sn3  1  0.0  0.0  0.78  1.0

data_BaSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.68
_cell_length_c   6.76
_cell_angle_alpha   110.24
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Sn
_chemical_formula_sum   'Ba1 Si2 Sn1'
_cell_volume   110.4
_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  0.57  0.61  1.0
  Si  Si1  1  0.0  0.66  0.66  1.0
  Si  Si2  1  0.66  0.78  0.78  1.0
  Sn  Sn3  1  0.0  0.78  0.78  1.0

Ba Si Si Sn