data_[Ca24Sb8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [13.4589]
_cell_length_b [10.9488]
_cell_length_c [8.2198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ca3SbAs]
_chemical_formula_sum '[Ca24 Sb8 As8]'
_cell_volume [1211.2510]
_cell_formula_units_Z [8]
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  16  0.1490  0.1702  0.5913  1.0
  Ca  Ca1  8  0.0000  0.0723  0.1848  1.0
  Sb  Sb2  8  0.2500  0.0861  0.2500  1.0
  As  As3  8  0.0000  0.1962  0.8685  1.0
]