data_[Sm4P2S1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  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 [7.0632]
_cell_length_b [4.0619]
_cell_length_c [7.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4P2SCl]
_chemical_formula_sum '[Sm4 P2 S1 Cl1]'
_cell_volume [193.0442]
_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  0.2555  0.5000  0.2319  1.0
  Sm  Sm1  2  0.2698  0.0000  0.7755  1.0
  P  P2  1  0.0000  0.0000  0.0000  1.0
  P  P3  1  0.5000  0.5000  0.0000  1.0
  S  S4  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl5  1  0.0000  0.5000  0.5000  1.0
]