data_[Li4Sb4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.6473]
_cell_length_b [3.9590]
_cell_length_c [4.7018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiSbAs]
_chemical_formula_sum '[Li4 Sb4 As4]'
_cell_volume [291.2501]
_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
[
  Li  Li0  2  0.1652  0.5000  0.6241  1.0
  Li  Li1  2  0.3765  0.5000  0.8193  1.0
  Sb  Sb2  2  0.0158  0.0000  0.3145  1.0
  Sb  Sb3  2  0.1978  0.0000  0.0955  1.0
  As  As4  2  0.0041  0.5000  0.7089  1.0
  As  As5  2  0.2961  0.5000  0.3082  1.0
]