data_[Ca10P16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9321]
_cell_length_b [11.9204]
_cell_length_c [7.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5P8]
_chemical_formula_sum '[Ca10 P16]'
_cell_volume [590.1360]
_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  4  0.0000  0.1753  0.5000  1.0
  Ca  Ca1  4  0.0000  0.3347  0.0000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  P  P3  8  0.2317  0.1529  0.2398  1.0
  P  P4  4  0.0524  0.0000  0.1635  1.0
  P  P5  4  0.2223  0.0000  0.7580  1.0
]