data_[Zr12Ge2C6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [C2/m]
_cell_length_a [14.9084]
_cell_length_b [3.3743]
_cell_length_c [6.9200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr6GeC3N2]
_chemical_formula_sum '[Zr12 Ge2 C6 N4]'
_cell_volume [338.5798]
_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
[
  Zr  Zr0  4  0.0004  0.0000  0.2801  1
  Zr  Zr1  4  0.1685  0.5000  0.5850  1
  Zr  Zr2  4  0.1783  0.5000  0.0909  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.1676  0.0000  0.8303  1
  C  C5  2  0.0000  0.5000  0.5000  1
  N  N6  4  0.1724  0.0000  0.3410  1
]