data_[Li8Cu4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1925]
_cell_length_b [4.0396]
_cell_length_c [9.3379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2CuAs2]
_chemical_formula_sum '[Li8 Cu4 As8]'
_cell_volume [332.0888]
_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  4  0.0005  0.5000  0.6792  1.0
  Li  Li1  4  0.1765  0.5000  0.0884  1.0
  Cu  Cu2  4  0.2189  0.0000  0.3745  1.0
  As  As3  4  0.0215  0.0000  0.8822  1.0
  As  As4  4  0.1386  0.0000  0.5834  1.0
]