data_[Na8Ca6P8]
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 [Immm]
_cell_length_a [4.4920]
_cell_length_b [7.7389]
_cell_length_c [14.5263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na4Ca3P4]
_chemical_formula_sum '[Na8 Ca6 P8]'
_cell_volume [504.9761]
_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
[
  Na  Na0  8  0.0000  0.2025  0.3246  1
  Ca  Ca1  4  0.0000  0.0000  0.1202  1
  Ca  Ca2  2  0.0000  0.5000  0.0000  1
  P  P3  4  0.0000  0.3516  0.5000  1
  P  P4  4  0.0000  0.5000  0.2071  1
]