data_[Ca4P8W4N24]
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
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0508]
_cell_length_b [10.3999]
_cell_length_c [5.5069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaP2WN6]
_chemical_formula_sum '[Ca4 P8 W4 N24]'
_cell_volume [534.8210]
_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  0.0000  0.1050  0.7500  1.0
  P  P1  8  0.1973  0.4299  0.6968  1.0
  W  W2  4  0.0000  0.2271  0.2500  1.0
  N  N3  8  0.1007  0.3000  0.5735  1.0
  N  N4  8  0.1277  0.1084  0.1975  1.0
  N  N5  8  0.1721  0.4673  0.9624  1.0
]