data_[Li4Cu2As4]
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 [P4/mbm]
_cell_length_a [6.3565]
_cell_length_b [6.3565]
_cell_length_c [4.0860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2CuAs2]
_chemical_formula_sum '[Li4 Cu2 As4]'
_cell_volume [165.0925]
_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  0.1654  0.3346  0.5000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.1400  0.6400  0.0000  1.0
]