data_[Cs8Ca4Mg4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4152]
_cell_length_b [17.7668]
_cell_length_c [7.4483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2CaMgSb2]
_chemical_formula_sum '[Cs8 Ca4 Mg4 Sb8]'
_cell_volume [981.2767]
_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
[
  Cs  Cs0  8  0.2412  0.3223  0.0000  1.0
  Ca  Ca1  4  0.0000  0.0000  0.2500  1.0
  Mg  Mg2  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb3  8  0.2321  0.4099  0.5000  1.0
]