data_[Mn6Ge2C1N1]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7820]
_cell_length_b [3.7820]
_cell_length_c [7.5652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mn6Ge2CN]
_chemical_formula_sum '[Mn6 Ge2 C1 N1]'
_cell_volume [108.2076]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn2  2  0.5000  0.5000  0.2482  1.0
  Ge  Ge3  2  0.0000  0.0000  0.2543  1.0
  C  C4  1  0.5000  0.5000  0.5000  1.0
  N  N5  1  0.5000  0.5000  0.0000  1.0
]