data_[Ba2Sr2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1079]
_cell_length_b [4.1606]
_cell_length_c [7.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSrSi2]
_chemical_formula_sum '[Ba2 Sr2 Si4]'
_cell_volume [282.8477]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.0000  1
  Si  Si2  4  0.2436  0.5000  0.9075  1
]