data_[Ca8Nb4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nb  1.6000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3280]
_cell_length_b [13.7310]
_cell_length_c [11.0242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2NbWN5]
_chemical_formula_sum '[Ca8 Nb4 W4 N20]'
_cell_volume [503.7711]
_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  0.0924  0.6595  1.0
  Ca  Ca1  4  0.0000  0.1444  0.3228  1.0
  Nb  Nb2  4  0.0000  0.2272  0.0450  1.0
  W  W3  4  0.0000  0.4450  0.4333  1.0
  N  N4  4  0.0000  0.0447  0.0217  1.0
  N  N5  4  0.0000  0.2773  0.6549  1.0
  N  N6  4  0.0000  0.3117  0.4005  1.0
  N  N7  4  0.0000  0.3600  0.0018  1.0
  N  N8  4  0.0000  0.4973  0.7844  1.0
]