data_[Lu8Ge2C3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [P-3m1]
_cell_length_a [3.4142]
_cell_length_b [3.4142]
_cell_length_c [25.7000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Lu8Ge2(CN)3]
_chemical_formula_sum '[Lu8 Ge2 C3 N3]'
_cell_volume [259.4435]
_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
[
  Lu  Lu0  2  0.0000  0.0000  0.1558  1
  Lu  Lu1  2  0.0000  0.0000  0.3368  1
  Lu  Lu2  2  0.3333  0.6667  0.5571  1
  Lu  Lu3  2  0.3333  0.6667  0.9481  1
  Ge  Ge4  2  0.3333  0.6667  0.7561  1
  C  C5  2  0.3333  0.6667  0.3845  1
  C  C6  1  0.0000  0.0000  0.5000  1
  N  N7  2  0.3333  0.6667  0.1080  1
  N  N8  1  0.0000  0.0000  0.0000  1
]