data_[Lu8Ta16S12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0081]
_cell_length_b [5.8534]
_cell_length_c [12.1121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Ta4(SN)3]
_chemical_formula_sum '[Lu8 Ta16 S12 N12]'
_cell_volume [683.8647]
_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  0.0501  0.4158  0.8926  1
  Ta  Ta1  8  0.1137  0.0696  0.0882  1
  Ta  Ta2  8  0.2131  0.0864  0.4119  1
  S  S3  8  0.1789  0.3985  0.2479  1
  S  S4  4  0.0000  0.0588  0.7500  1
  N  N5  8  0.0785  0.2641  0.4998  1
  N  N6  4  0.2500  0.2500  0.0000  1
]