data_[Li4Sm4Co4S12]
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
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8158]
_cell_length_b [11.7956]
_cell_length_c [10.7224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiSmCoS3]
_chemical_formula_sum '[Li4 Sm4 Co4 S12]'
_cell_volume [482.6103]
_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  0.2281  0.7500  1
  Sm  Sm1  4  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.0000  0.4804  0.2500  1
  S  S3  8  0.0000  0.3539  0.0929  1
  S  S4  4  0.0000  0.0852  0.2500  1
]