data_[Zn4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6978]
_cell_length_b [7.0818]
_cell_length_c [7.6348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnSb2]
_chemical_formula_sum '[Zn4 Sb8]'
_cell_volume [314.6042]
_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
[
  Zn  Zn0  4  0.2125  0.0189  0.9767  1.0
  Sb  Sb1  4  0.1941  0.6502  0.8521  1.0
  Sb  Sb2  4  0.3635  0.1344  0.6715  1.0
]