data_[Sc16Bi4Sb4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2182]
_cell_length_b [15.1000]
_cell_length_c [6.2215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4BiSbN]
_chemical_formula_sum '[Sc16 Bi4 Sb4 N4]'
_cell_volume [584.1689]
_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  0.2500  0.2500  0.0000  1.0
  Sc  Sc1  4  0.0000  0.0997  0.2500  1.0
  Sc  Sc2  4  0.0000  0.4044  0.2500  1.0
  Bi  Bi3  4  0.0000  0.1006  0.7500  1.0
  Sb  Sb4  4  0.0000  0.3948  0.7500  1.0
  N  N5  4  0.0000  0.2511  0.2500  1.0
]