data_[Sc8Ta16Bi12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2170]
_cell_length_b [5.9654]
_cell_length_c [13.7314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ta4(BiN)3]
_chemical_formula_sum '[Sc8 Ta16 Bi12 N12]'
_cell_volume [811.0860]
_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
[
  Sc  Sc0  8  0.0569  0.4160  0.4150  1
  Ta  Ta1  8  0.1089  0.0743  0.5731  1
  Ta  Ta2  8  0.2209  0.0882  0.9267  1
  Bi  Bi3  8  0.1707  0.4104  0.7498  1
  Bi  Bi4  4  0.0000  0.0771  0.2500  1
  N  N5  8  0.0790  0.2616  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]