data_[Li4In6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.6487]
_cell_length_b [7.1441]
_cell_length_c [18.9961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2In3As2]
_chemical_formula_sum '[Li4 In6 As4]'
_cell_volume [1038.0080]
_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  0.1403  0.7654  0.4392  1
  In  In1  4  0.2472  0.1401  0.3948  1
  In  In2  2  0.0000  0.3984  0.5000  1
  As  As3  4  0.1266  0.0003  0.5513  1
]