data_[Sm6Ga2Fe2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [9.8071]
_cell_length_b [6.1482]
_cell_length_c [9.8283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Sm3GaFeS7]
_chemical_formula_sum '[Sm6 Ga2 Fe2 S14]'
_cell_volume [514.2136]
_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  6  0.1250  0.3202  0.8484  1
  Ga  Ga1  2  0.1670  0.3968  0.3331  1
  Fe  Fe2  2  0.4975  0.5086  0.9955  1
  S  S3  6  0.0187  0.5507  0.4283  1
  S  S4  6  0.2652  0.7430  0.9013  1
  S  S5  2  0.1658  0.0302  0.3315  1
]