data_[Ba4Ca8Sb6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9528]
_cell_length_b [4.9528]
_cell_length_c [26.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2Ca4Sb3H2]
_chemical_formula_sum '[Ba4 Ca8 Sb6 H4]'
_cell_volume [646.5059]
_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  4  0.0000  0.0000  0.3019  1.0
  Ca  Ca1  8  0.0000  0.5000  0.0779  1.0
  Sb  Sb2  4  0.0000  0.0000  0.1625  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.0000  0.0000  0.4105  1.0
]