data_[Ba2Sr2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6285]
_cell_length_b [4.7877]
_cell_length_c [5.1523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSrSb2]
_chemical_formula_sum '[Ba2 Sr2 Sb4]'
_cell_volume [306.5535]
_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  0.2543  0.5000  0.1206  1.0
  Sr  Sr1  2  0.4989  0.0000  0.6246  1.0
  Sb  Sb2  2  0.0291  0.0000  0.1674  1.0
  Sb  Sb3  2  0.2178  0.0000  0.5874  1.0
]