data_[Ca24Si8Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.6731]
_cell_length_b [10.1973]
_cell_length_c [10.7545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca6Si2Sb]
_chemical_formula_sum '[Ca24 Si8 Sb4]'
_cell_volume [1060.8158]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  8  0.0000  0.2169  0.2333  1
  Ca  Ca1  8  0.2033  0.5000  0.1795  1
  Ca  Ca2  8  0.2253  0.3116  0.5000  1
  Si  Si3  4  0.0000  0.3784  0.0000  1
  Si  Si4  4  0.0000  0.5000  0.3890  1
  Sb  Sb5  2  0.0000  0.0000  0.0000  1
  Sb  Sb6  2  0.0000  0.0000  0.5000  1
]