data_[Li6Bi4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.2345]
_cell_length_b [13.9997]
_cell_length_c [20.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Li3Bi2As3]
_chemical_formula_sum '[Li6 Bi4 As6]'
_cell_volume [918.9864]
_cell_formula_units_Z [2]
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  0.0000  0.1390  0.4018  1
  Li  Li1  2  0.0000  0.0000  0.5057  1
  Bi  Bi2  4  0.0000  0.3888  0.6441  1
  As  As3  4  0.0000  0.3240  0.5092  1
  As  As4  2  0.0000  0.5000  0.3838  1
]