data_[Li4Er2U2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5638]
_cell_length_b [7.1612]
_cell_length_c [11.2688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2ErUS6]
_chemical_formula_sum '[Li4 Er2 U2 S12]'
_cell_volume [438.2711]
_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  0.2921  0.0910  0.2556  1
  Er  Er1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.0768  0.0570  0.7432  1
  S  S4  4  0.2619  0.6992  0.5906  1
  S  S5  4  0.3909  0.1888  0.5882  1
]