data_[Zr24As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [11.0993]
_cell_length_b [11.0993]
_cell_length_c [5.4523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Zr3As]
_chemical_formula_sum '[Zr24 As8]'
_cell_volume [671.6959]
_cell_formula_units_Z [8]
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  0.0278  0.3618  0.5243  1.0
  Zr  Zr1  8  0.0820  0.8926  0.7291  1.0
  Zr  Zr2  8  0.1803  0.7833  0.2495  1.0
  As  As3  8  0.0403  0.2926  0.0288  1.0
]