data_[Sm6C2S2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8930]
_cell_length_b [3.8182]
_cell_length_c [8.2820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3CSF]
_chemical_formula_sum '[Sm6 C2 S2 F2]'
_cell_volume [244.7563]
_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  0.1273  0.2500  0.8625  1.0
  Sm  Sm1  2  0.2514  0.7500  0.5348  1.0
  Sm  Sm2  2  0.4340  0.7500  0.1559  1.0
  C  C3  2  0.3354  0.7500  0.8370  1.0
  S  S4  2  0.1659  0.2500  0.2140  1.0
  F  F5  2  0.0874  0.2500  0.5717  1.0
]