data_[Na4Ca12P4]
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/m]
_cell_length_a [13.1059]
_cell_length_b [5.7804]
_cell_length_c [10.1615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCa3P]
_chemical_formula_sum '[Na4 Ca12 P4]'
_cell_volume [713.4771]
_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
[
  Na  Na0  4  0.1111  0.5000  0.4369  1.0
  Ca  Ca1  4  0.1030  0.0000  0.1954  1.0
  Ca  Ca2  4  0.1405  0.5000  0.9367  1.0
  Ca  Ca3  4  0.1448  0.0000  0.6667  1.0
  P  P4  4  0.1274  0.0000  0.9296  1.0
]