data_[Li4Sm8Ge4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0791]
_cell_length_b [16.5588]
_cell_length_c [11.0575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiSm2GeS5]
_chemical_formula_sum '[Li4 Sm8 Ge4 S20]'
_cell_volume [746.8827]
_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  0.2151  0.0196  1.0
  Sm  Sm1  4  0.0000  0.1212  0.6815  1.0
  Sm  Sm2  4  0.0000  0.1330  0.3044  1.0
  Ge  Ge3  4  0.0000  0.4342  0.4637  1.0
  S  S4  4  0.0000  0.0460  0.0567  1.0
  S  S5  4  0.0000  0.2925  0.6692  1.0
  S  S6  4  0.0000  0.3156  0.3505  1.0
  S  S7  4  0.0000  0.3595  0.9998  1.0
  S  S8  4  0.0000  0.4999  0.7784  1.0
]