data_[Ca6Mg4W2N12]
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 [C2/m]
_cell_length_a [5.6314]
_cell_length_b [9.7509]
_cell_length_c [5.7610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Mg2WN6]
_chemical_formula_sum '[Ca6 Mg4 W2 N12]'
_cell_volume [299.1369]
_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  0.0000  0.1702  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Mg  Mg2  4  0.0000  0.3333  0.0000  1
  W  W3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2245  0.1532  0.2144  1
  N  N5  4  0.2338  0.0000  0.7881  1
]