data_[Sm8P6Cl2]
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 [Cmmm]
_cell_length_a [8.2353]
_cell_length_b [11.5855]
_cell_length_c [4.0871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm4P3Cl]
_chemical_formula_sum '[Sm8 P6 Cl2]'
_cell_volume [389.9542]
_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  0.0000  0.2579  0.5000  1
  Sm  Sm1  4  0.2310  0.5000  0.0000  1
  P  P2  4  0.2500  0.2500  0.0000  1
  P  P3  2  0.0000  0.5000  0.5000  1
  Cl  Cl4  2  0.0000  0.0000  0.5000  1
]