data_[Mn16Ni12W8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  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 [8.4012]
_cell_length_b [4.8501]
_cell_length_c [12.5640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn4Ni3W2N3]
_chemical_formula_sum '[Mn16 Ni12 W8 N12]'
_cell_volume [499.6213]
_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
[
  Mn  Mn0  8  0.1110  0.0802  0.5850  1
  Mn  Mn1  8  0.2207  0.0849  0.9148  1
  Ni  Ni2  8  0.2367  0.1794  0.2507  1
  Ni  Ni3  4  0.0000  0.1124  0.7500  1
  W  W4  8  0.0388  0.4181  0.3710  1
  N  N5  8  0.0747  0.2762  0.9997  1
  N  N6  4  0.2500  0.2500  0.5000  1
]