data_[Li4Cu2Ag2I8]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.1000]
_cell_length_b [7.7959]
_cell_length_c [7.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CuAgI4]
_chemical_formula_sum '[Li4 Cu2 Ag2 I8]'
_cell_volume [526.7131]
_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  0.2495  0.6705  0.0005  1.0
  Cu  Cu1  2  0.0000  0.1694  0.0007  1.0
  Ag  Ag2  2  0.0000  0.8339  0.5006  1.0
  I  I3  4  0.2356  0.3319  0.8769  1.0
  I  I4  2  0.0000  0.1774  0.3565  1.0
  I  I5  2  0.0000  0.8484  0.8875  1.0
]