data_[Lu8Ga12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ga  1.8100  1.3000  0.7600
  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 [9.4858]
_cell_length_b [5.5067]
_cell_length_c [13.5445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Ga3Mo4N3]
_chemical_formula_sum '[Lu8 Ga12 Mo16 N12]'
_cell_volume [686.9664]
_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  0.0449  0.4175  0.3879  1
  Ga  Ga1  8  0.2373  0.3474  0.7489  1
  Ga  Ga2  4  0.0000  0.0639  0.7500  1
  Mo  Mo3  8  0.1128  0.0692  0.5767  1
  Mo  Mo4  8  0.2158  0.0883  0.9226  1
  N  N5  8  0.0766  0.2688  0.9998  1
  N  N6  4  0.2500  0.2500  0.5000  1
]