data_[Li4Cu2Si2O8]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.2767]
_cell_length_b [5.3249]
_cell_length_c [4.9485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CuSiO4]
_chemical_formula_sum '[Li4 Cu2 Si2 O8]'
_cell_volume [165.3922]
_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  0.2494  0.8300  0.9944  1.0
  Cu  Cu1  2  0.0000  0.3147  0.9830  1.0
  Si  Si2  2  0.0000  0.6587  0.5028  1.0
  O  O3  4  0.2147  0.8098  0.3956  1.0
  O  O4  2  0.0000  0.3641  0.3979  1.0
  O  O5  2  0.0000  0.6667  0.8361  1.0
]