data_[Zr10Ga3Sb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3715]
_cell_length_b [8.3715]
_cell_length_c [5.7213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Zr10(GaSb)3]
_chemical_formula_sum '[Zr10 Ga3 Sb3]'
_cell_volume [347.2440]
_cell_formula_units_Z [1]
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  4  0.3333  0.6667  0.7562  1.0
  Zr  Zr1  3  0.0000  0.2500  0.0000  1.0
  Zr  Zr2  3  0.0000  0.7500  0.5000  1.0
  Ga  Ga3  3  0.0000  0.6123  0.0000  1.0
  Sb  Sb4  3  0.0000  0.3919  0.5000  1.0
]