data_[Sm4Sc2Mn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3591]
_cell_length_b [7.1540]
_cell_length_c [11.1554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2ScMnS6]
_chemical_formula_sum '[Sm4 Sc2 Mn2 S12]'
_cell_volume [419.2745]
_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
[
  Sm  Sm0  4  0.2069  0.1073  0.2478  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1133  0.1806  0.9382  1.0
  S  S4  4  0.2582  0.6755  0.9436  1.0
  S  S5  4  0.3657  0.0306  0.7382  1.0
]