data_[Ba2Li2Sm2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6922]
_cell_length_b [4.1421]
_cell_length_c [8.9433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiSmS3]
_chemical_formula_sum '[Ba2 Li2 Sm2 S6]'
_cell_volume [312.3523]
_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
[
  Ba  Ba0  2  0.1880  0.7500  0.2382  1
  Li  Li1  2  0.0851  0.7500  0.5907  1
  Sm  Sm2  2  0.3314  0.2500  0.8352  1
  S  S3  2  0.1189  0.7500  0.8655  1
  S  S4  2  0.1984  0.2500  0.5194  1
  S  S5  2  0.4447  0.2500  0.1629  1
]