data_[Mn12Ge4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9220]
_cell_length_b [10.2498]
_cell_length_c [7.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mn3GeN]
_chemical_formula_sum '[Mn12 Ge4 N4]'
_cell_volume [225.7286]
_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  0.0000  0.1303  0.5387  1.0
  Mn  Mn1  4  0.0000  0.4608  0.7500  1.0
  Ge  Ge2  4  0.0000  0.2450  0.2500  1.0
  N  N3  4  0.0000  0.5000  0.0000  1.0
]