data_[Sm4P4Cl4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8853]
_cell_length_b [6.5787]
_cell_length_c [6.7095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmPClO4]
_chemical_formula_sum '[Sm4 P4 Cl4 O16]'
_cell_volume [473.1792]
_cell_formula_units_Z [4]
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  0.2043  0.5000  0.8308  1
  P  P1  4  0.1468  0.5000  0.2729  1
  Cl  Cl2  4  0.0302  0.0000  0.8680  1
  O  O3  8  0.1917  0.3149  0.1549  1
  O  O4  4  0.0036  0.5000  0.2478  1
  O  O5  4  0.2091  0.5000  0.4948  1
]