data_[Ca10P6Cl2O24]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [9.8554]
_cell_length_b [9.8554]
_cell_length_c [6.7488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Ca5P3ClO12]
_chemical_formula_sum '[Ca10 P6 Cl2 O24]'
_cell_volume [567.6828]
_cell_formula_units_Z [2]
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  6  0.0200  0.2677  0.2482  1
  Ca  Ca1  2  0.3333  0.6667  0.5044  1
  Ca  Ca2  2  0.3333  0.6667  0.9950  1
  P  P3  6  0.0317  0.6213  0.2519  1
  Cl  Cl4  2  0.0000  0.0000  0.4275  1
  O  O5  6  0.0797  0.7322  0.0691  1
  O  O6  6  0.0865  0.7275  0.4391  1
  O  O7  6  0.1317  0.5376  0.2458  1
  O  O8  6  0.1453  0.4998  0.7534  1
]