data_[Sm6As2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1904]
_cell_length_b [3.9734]
_cell_length_c [10.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3AsSCl]
_chemical_formula_sum '[Sm6 As2 S2 Cl2]'
_cell_volume [311.5128]
_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  0.0907  0.7500  0.8884  1
  Sm  Sm1  2  0.2799  0.2500  0.4495  1
  Sm  Sm2  2  0.4695  0.2500  0.1767  1
  As  As3  2  0.2003  0.7500  0.2048  1
  S  S4  2  0.3249  0.2500  0.8872  1
  Cl  Cl5  2  0.1641  0.7500  0.6018  1
]