data_[Lu8Zn12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4473]
_cell_length_b [5.4861]
_cell_length_c [13.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Zn3Mo4N3]
_chemical_formula_sum '[Lu8 Zn12 Mo16 N12]'
_cell_volume [684.6415]
_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
[
  Lu  Lu0  8  0.0440  0.4171  0.8872  1
  Zn  Zn1  8  0.2420  0.3436  0.2502  1
  Zn  Zn2  4  0.0000  0.0688  0.2500  1
  Mo  Mo3  8  0.1103  0.0733  0.0758  1
  Mo  Mo4  8  0.2187  0.0845  0.4245  1
  N  N5  8  0.0767  0.2694  0.4999  1
  N  N6  4  0.2500  0.2500  0.0000  1
]