data_[Sm2Hf2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hf  1.3000  1.5500  0.8500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.2045]
_cell_length_b [5.7751]
_cell_length_c [8.3779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SmHfF7]
_chemical_formula_sum '[Sm2 Hf2 F14]'
_cell_volume [293.9119]
_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  0.3427  0.1986  0.3128  1.0
  Hf  Hf1  2  0.1888  0.2084  0.7760  1.0
  F  F2  2  0.0317  0.4478  0.2393  1.0
  F  F3  2  0.0684  0.9225  0.2307  1.0
  F  F4  2  0.1407  0.2127  0.5313  1.0
  F  F5  2  0.2433  0.2053  0.0195  1.0
  F  F6  2  0.3756  0.4964  0.7832  1.0
  F  F7  2  0.4499  0.9988  0.7867  1.0
  F  F8  2  0.4499  0.8859  0.4751  1.0
]