data_[Li4Cu12As8]
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 [15.3289]
_cell_length_b [3.8875]
_cell_length_c [6.6672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCu3As2]
_chemical_formula_sum '[Li4 Cu12 As8]'
_cell_volume [385.8925]
_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  0.1807  0.0000  0.1239  1
  Cu  Cu1  4  0.0567  0.0000  0.3860  1
  Cu  Cu2  4  0.0723  0.5000  0.6592  1
  Cu  Cu3  4  0.1959  0.5000  0.4674  1
  As  As4  4  0.0522  0.5000  0.1730  1
  As  As5  4  0.1796  0.0000  0.7129  1
]