data_BaSrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   136.37
_cell_angle_beta   136.37
_cell_angle_gamma   63.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrSi2
_chemical_formula_sum   'Ba1 Sr1 Si2'
_cell_volume   117.58
_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  0.34  0.68  1.0
  Sr  Sr3  1  0.0  0.0  0.36  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.34  0.0  0.68  1.0

data_BaSrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   6.3
_cell_angle_alpha   111.81
_cell_angle_beta   111.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrSi2
_chemical_formula_sum   'Ba1 Sr1 Si2'
_cell_volume   117.58
_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  0.66  0.34  0.66  1.0
  Sr  Sr1  1  0.64  0.0  0.64  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.32  0.0  0.66  1.0

Ba Sr Si Si