data_[Lu8Bi12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Bi  2.0200  1.6000  1.0350
  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 [10.1920]
_cell_length_b [5.9310]
_cell_length_c [14.1264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Bi3Mo4N3]
_chemical_formula_sum '[Lu8 Bi12 Mo16 N12]'
_cell_volume [843.9809]
_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  0.0681  0.4127  0.9099  1
  Bi  Bi1  8  0.1790  0.3878  0.2361  1
  Bi  Bi2  4  0.0000  0.0601  0.7500  1
  Mo  Mo3  8  0.0895  0.0704  0.0689  1
  Mo  Mo4  8  0.2222  0.0828  0.4401  1
  N  N5  8  0.0801  0.2565  0.5028  1
  N  N6  4  0.2500  0.2500  0.0000  1
]