data_[Li4Sm8Ga4S20]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8313]
_cell_length_b [16.9138]
_cell_length_c [11.3269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiSm2GaS5]
_chemical_formula_sum '[Li4 Sm8 Ga4 S20]'
_cell_volume [734.0051]
_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  0.2144  0.0191  1.0
  Sm  Sm1  4  0.0000  0.1216  0.6818  1.0
  Sm  Sm2  4  0.0000  0.1338  0.3044  1.0
  Ga  Ga3  4  0.0000  0.4329  0.4546  1.0
  S  S4  4  0.0000  0.0438  0.0646  1.0
  S  S5  4  0.0000  0.2917  0.6680  1.0
  S  S6  4  0.0000  0.3157  0.3524  1.0
  S  S7  4  0.0000  0.3578  0.9996  1.0
  S  S8  4  0.0000  0.4991  0.7796  1.0
]