data_[Ca8P4Cl4O16]
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 [Pbcm]
_cell_length_a [6.1607]
_cell_length_b [6.9608]
_cell_length_c [10.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Ca2PClO4]
_chemical_formula_sum '[Ca8 P4 Cl4 O16]'
_cell_volume [461.1066]
_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  4  0.1318  0.0284  0.7500  1
  Ca  Ca1  4  0.3674  0.7500  0.0000  1
  P  P2  4  0.1370  0.2500  0.0000  1
  Cl  Cl3  4  0.4845  0.7173  0.2500  1
  O  O4  8  0.0121  0.7282  0.1163  1
  O  O5  8  0.2853  0.0749  0.5236  1
]