data_[Sm2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [5.3505]
_cell_length_b [4.3514]
_cell_length_c [7.1367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmSCl]
_chemical_formula_sum '[Sm2 S2 Cl2]'
_cell_volume [157.3748]
_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  0.1681  0.2500  0.8066  1.0
  S  S1  2  0.2723  0.7500  0.0625  1.0
  Cl  Cl2  2  0.2516  0.7500  0.5621  1.0
]