data_[Ba2Sr4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5709]
_cell_length_b [4.1646]
_cell_length_c [7.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSr2Se]
_chemical_formula_sum '[Ba2 Sr4 Se2]'
_cell_volume [368.2782]
_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  0.0659  0.5000  0.6146  1
  Sr  Sr1  2  0.2387  0.5000  0.2897  1
  Sr  Sr2  2  0.4195  0.5000  0.9698  1
  Se  Se3  2  0.2759  0.0000  0.6260  1
]