data_[Ca24P12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmc2_1]
_cell_length_a [11.1440]
_cell_length_b [13.9004]
_cell_length_c [6.7217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca6P3O]
_chemical_formula_sum '[Ca24 P12 O4]'
_cell_volume [1041.2331]
_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
[
  Ca  Ca0  8  0.1508  0.2638  0.6779  1.0
  Ca  Ca1  8  0.1601  0.4818  0.2007  1.0
  Ca  Ca2  4  0.0000  0.0468  0.6613  1.0
  Ca  Ca3  4  0.0000  0.2169  0.1850  1.0
  P  P4  8  0.1822  0.1071  0.9721  1.0
  P  P5  4  0.0000  0.3868  0.9236  1.0
  O  O6  4  0.0000  0.1908  0.5141  1.0
]