data_[Li8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.4049]
_cell_length_b [5.7218]
_cell_length_c [9.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [LiAs]
_chemical_formula_sum '[Li8 As8]'
_cell_volume [298.7510]
_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
[
  Li  Li0  4  0.0531  0.9162  0.8185  1.0
  Li  Li1  4  0.1523  0.4803  0.4096  1.0
  As  As2  4  0.1435  0.0051  0.5395  1.0
  As  As3  4  0.1463  0.3398  0.1413  1.0
]