data_[Ca8W2N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [7.4995]
_cell_length_b [7.4995]
_cell_length_c [5.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ca4WN5]
_chemical_formula_sum '[Ca8 W2 N10]'
_cell_volume [286.6017]
_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  8  0.1014  0.7011  0.5070  1
  W  W1  2  0.0000  0.0000  0.0630  1
  N  N2  8  0.0832  0.7423  0.9985  1
  N  N3  2  0.0000  0.0000  0.4253  1
]