data_[Sm4Cu1S2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0575]
_cell_length_b [3.9565]
_cell_length_c [7.0669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4CuS2Cl]
_chemical_formula_sum '[Sm4 Cu1 S2 Cl1]'
_cell_volume [187.1104]
_cell_formula_units_Z [1]
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  0.2550  0.5000  0.2473  1.0
  Sm  Sm1  2  0.2664  0.0000  0.7672  1.0
  Cu  Cu2  1  0.5000  0.0000  0.5000  1.0
  S  S3  1  0.0000  0.0000  0.0000  1.0
  S  S4  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl5  1  0.0000  0.5000  0.5000  1.0
]