data_[Er2Hf2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [6.0518]
_cell_length_b [5.6578]
_cell_length_c [8.2080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [ErHfF7]
_chemical_formula_sum '[Er2 Hf2 F14]'
_cell_volume [274.6834]
_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
[
  Er  Er0  2  0.3447  0.1979  0.3151  1.0
  Hf  Hf1  2  0.1885  0.2082  0.7762  1.0
  F  F2  2  0.0387  0.4434  0.2375  1.0
  F  F3  2  0.0760  0.9264  0.2316  1.0
  F  F4  2  0.1392  0.2112  0.5260  1.0
  F  F5  2  0.2446  0.2034  0.0253  1.0
  F  F6  2  0.3799  0.5033  0.7831  1.0
  F  F7  2  0.4518  0.8880  0.4766  1.0
  F  F8  2  0.4566  0.9946  0.7886  1.0
]