data_[Li4Cu4Te8Ir4S4]
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
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8889]
_cell_length_b [12.8574]
_cell_length_c [9.5088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiCuTe2IrS]
_chemical_formula_sum '[Li4 Cu4 Te8 Ir4 S4]'
_cell_volume [475.4505]
_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  0.0000  0.2640  0.7500  1
  Cu  Cu1  4  0.0000  0.4763  0.2500  1
  Te  Te2  8  0.0000  0.3543  0.0316  1
  Ir  Ir3  4  0.0000  0.0000  0.0000  1
  S  S4  4  0.0000  0.0691  0.2500  1
]