data_[Sm6Ga2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0323]
_cell_length_b [4.0498]
_cell_length_c [8.6139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3GaS]
_chemical_formula_sum '[Sm6 Ga2 S2]'
_cell_volume [276.4890]
_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  2  0.0743  0.2500  0.8179  1
  Sm  Sm1  2  0.2986  0.2500  0.4678  1
  Sm  Sm2  2  0.3942  0.7500  0.1305  1
  Ga  Ga3  2  0.3399  0.7500  0.7412  1
  S  S4  2  0.1558  0.2500  0.1457  1
]