data_[Sm2V4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5894]
_cell_length_b [9.4132]
_cell_length_c [6.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(VCl4)2]
_chemical_formula_sum '[Sm2 V4 Cl16]'
_cell_volume [756.7160]
_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  2  0.0000  0.0000  0.0000  1
  V  V1  4  0.2041  0.0000  0.6442  1
  Cl  Cl2  8  0.1017  0.1881  0.7563  1
  Cl  Cl3  4  0.1328  0.5000  0.2103  1
  Cl  Cl4  4  0.1753  0.0000  0.2763  1
]