data_[Ca4Mg2W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.1155]
_cell_length_b [6.4344]
_cell_length_c [5.4995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ca2MgWN4]
_chemical_formula_sum '[Ca4 Mg2 W2 N8]'
_cell_volume [251.7903]
_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  4  0.2476  0.6769  0.9779  1.0
  Mg  Mg1  2  0.0000  0.8467  0.4935  1.0
  W  W2  2  0.0000  0.1622  0.9997  1.0
  N  N3  4  0.2277  0.3078  0.9217  1.0
  N  N4  2  0.0000  0.1383  0.3369  1.0
  N  N5  2  0.0000  0.8925  0.8706  1.0
]