data_[Ba4Ca2Sn4Sb8]
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
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3021]
_cell_length_b [5.3671]
_cell_length_c [7.4769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ca(SnSb2)2]
_chemical_formula_sum '[Ba4 Ca2 Sn4 Sb8]'
_cell_volume [628.2111]
_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  0.1370  0.0000  0.6046  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1573  0.5000  0.0214  1.0
  Sb  Sb3  4  0.0056  0.5000  0.2932  1.0
  Sb  Sb4  4  0.2071  0.0000  0.1949  1.0
]