data_[Ba4Ca4P8O24]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2015]
_cell_length_b [10.4081]
_cell_length_c [6.8519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaCa(PO3)2]
_chemical_formula_sum '[Ba4 Ca4 P8 O24]'
_cell_volume [622.1449]
_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  4  0.0000  0.1644  0.7500  1
  Ca  Ca1  4  0.0000  0.4101  0.2500  1
  P  P2  8  0.2191  0.1089  0.2748  1
  O  O3  8  0.1026  0.3954  0.6165  1
  O  O4  8  0.1687  0.2463  0.1884  1
  O  O5  8  0.1726  0.0028  0.1031  1
]