data_[Sm8P2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7602]
_cell_length_b [3.9886]
_cell_length_c [8.1798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4PCl5]
_chemical_formula_sum '[Sm8 P2 Cl10]'
_cell_volume [562.1716]
_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  4  0.0001  0.0000  0.7736  1.0
  Sm  Sm1  4  0.1540  0.5000  0.0887  1.0
  P  P2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1656  0.0000  0.3342  1.0
  Cl  Cl4  4  0.1717  0.0000  0.8483  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]