data_[Zr10Sc10Sb12]
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 [Amm2]
_cell_length_a [5.8401]
_cell_length_b [14.7486]
_cell_length_c [8.5250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zr5Sc5Sb6]
_chemical_formula_sum '[Zr10 Sc10 Sb12]'
_cell_volume [734.2832]
_cell_formula_units_Z [2]
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  0.2498  0.1663  0.5011  1
  Zr  Zr1  2  0.0000  0.0000  0.7397  1
  Sc  Sc2  4  0.0000  0.1280  0.1267  1
  Sc  Sc3  4  0.5000  0.1271  0.8731  1
  Sc  Sc4  2  0.5000  0.0000  0.2571  1
  Sb  Sb5  4  0.0000  0.1926  0.8091  1
  Sb  Sb6  4  0.5000  0.1915  0.1918  1
  Sb  Sb7  2  0.0000  0.0000  0.3809  1
  Sb  Sb8  2  0.5000  0.0000  0.6165  1
]