data_[K4Ca4P8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [10.2327]
_cell_length_b [9.7931]
_cell_length_c [6.0380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCa(PO3)2]
_chemical_formula_sum '[K4 Ca4 P8 O24]'
_cell_volume [578.9619]
_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
[
  K  K0  4  0.0000  0.1842  0.7500  1
  Ca  Ca1  4  0.0000  0.3863  0.2500  1
  P  P2  8  0.2166  0.0758  0.2667  1
  O  O3  8  0.1248  0.4252  0.6437  1
  O  O4  8  0.1535  0.2177  0.2132  1
  O  O5  8  0.1666  0.0216  0.5430  1
]