data_[Lu8Tl12Cr16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5334]
_cell_length_b [5.5641]
_cell_length_c [13.9319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Tl3Cr4N3]
_chemical_formula_sum '[Lu8 Tl12 Cr16 N12]'
_cell_volume [721.6428]
_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  0.0543  0.4168  0.9046  1
  Tl  Tl1  8  0.1933  0.3859  0.2460  1
  Tl  Tl2  4  0.0000  0.0294  0.7500  1
  Cr  Cr3  8  0.1039  0.0727  0.0624  1
  Cr  Cr4  8  0.2239  0.0867  0.4368  1
  N  N5  8  0.0846  0.2456  0.5002  1
  N  N6  4  0.2500  0.2500  0.0000  1
]