data_[Li2U1Cu1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  U  1.3800  1.7500  0.9913
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0542]
_cell_length_b [3.8834]
_cell_length_c [6.4972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2UCuS4]
_chemical_formula_sum '[Li2 U1 Cu1 S4]'
_cell_volume [146.6385]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  U  U2  1  0.5000  0.5000  0.0000  1
  Cu  Cu3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2383  0.0000  0.7662  1
  S  S5  2  0.2580  0.5000  0.2588  1
]