data_[Y8Zr2Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3387]
_cell_length_b [4.3387]
_cell_length_c [30.6429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Y4ZrSb5]
_chemical_formula_sum '[Y8 Zr2 Sb10]'
_cell_volume [576.8269]
_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
[
  Y  Y0  4  0.0000  0.0000  0.1984  1.0
  Y  Y1  4  0.0000  0.0000  0.4007  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.0000  0.0967  1.0
  Sb  Sb4  4  0.0000  0.0000  0.3000  1.0
  Sb  Sb5  2  0.0000  0.0000  0.5000  1.0
]