data_[Li4Eu4Lu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Eu  1.2000  1.8500  1.1985
  Lu  1.2700  1.7500  1.0010
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.9221]
_cell_length_b [3.8933]
_cell_length_c [10.1498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiEuLuS3]
_chemical_formula_sum '[Li4 Eu4 Lu4 S12]'
_cell_volume [510.6353]
_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  0.0049  0.2500  0.4106  1
  Eu  Eu1  4  0.2267  0.7500  0.4642  1
  Lu  Lu2  4  0.0158  0.7500  0.1671  1
  S  S3  4  0.0992  0.2500  0.6128  1
  S  S4  4  0.1077  0.7500  0.9323  1
  S  S5  4  0.1405  0.2500  0.2532  1
]