data_BaSr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.1
_cell_length_b   8.1
_cell_length_c   8.1
_cell_angle_alpha   151.62
_cell_angle_beta   136.84
_cell_angle_gamma   52.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Si
_chemical_formula_sum   'Ba1 Sr2 Si1'
_cell_volume   171.74
_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  0.26  1.0
  Sr  Sr2  1  0.0  0.98  0.79  1.0
  Sr  Sr3  1  0.98  0.0  0.48  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_BaSr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.96
_cell_length_c   8.1
_cell_angle_alpha   111.58
_cell_angle_beta   104.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Si
_chemical_formula_sum   'Ba1 Sr2 Si1'
_cell_volume   171.74
_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  0.26  0.26  1.0
  Sr  Sr1  1  0.0  0.48  0.49  1.0
  Sr  Sr2  1  0.02  0.81  0.81  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ba Sr Sr Si