data_[Zr8Sc4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6793]
_cell_length_b [10.9910]
_cell_length_c [9.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr2ScSb]
_chemical_formula_sum '[Zr8 Sc4 Sb4]'
_cell_volume [377.2638]
_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
[
  Zr  Zr0  8  0.0000  0.3664  0.5330  1.0
  Sc  Sc1  4  0.0000  0.0549  0.7500  1.0
  Sb  Sb2  4  0.0000  0.2310  0.2500  1.0
]