data_[Ba8Ca4As4O24]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3549]
_cell_length_b [8.3549]
_cell_length_c [8.3549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ba2CaAsO6]
_chemical_formula_sum '[Ba8 Ca4 As4 O24]'
_cell_volume [583.2187]
_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
[
  Ba  Ba0  8  0.2500  0.2500  0.2500  1.0
  Ca  Ca1  4  0.0000  0.0000  0.5000  1.0
  As  As2  4  0.0000  0.0000  0.0000  1.0
  O  O3  24  0.0000  0.0000  0.2238  1.0
]