data_[Na8Ca24P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0317]
_cell_length_b [15.7268]
_cell_length_c [7.1521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCa3P]
_chemical_formula_sum '[Na8 Ca24 P8]'
_cell_volume [1467.9940]
_cell_formula_units_Z [8]
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
[
  Na  Na0  8  0.1278  0.4377  0.4830  1.0
  Ca  Ca1  8  0.1162  0.0660  0.0031  1.0
  Ca  Ca2  8  0.1212  0.1945  0.5076  1.0
  Ca  Ca3  8  0.1262  0.3215  0.9993  1.0
  P  P4  4  0.0000  0.0686  0.2500  1.0
  P  P5  4  0.0000  0.2012  0.7500  1.0
]