data_ZnFeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   58.3
_cell_angle_beta   58.3
_cell_angle_gamma   58.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeF6
_chemical_formula_sum   'Zn1 Fe1 F6'
_cell_volume   108.86
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.0  0.74  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  F  F2  1  0.59  0.61  0.88  1.0
  F  F3  1  0.87  0.82  0.88  1.0
  F  F4  1  0.46  0.43  0.59  1.0
  F  F5  1  0.13  0.18  0.59  1.0
  F  F6  1  0.41  0.39  0.59  1.0
  F  F7  1  0.54  0.57  0.88  1.0

data_ZnFeF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.43
_cell_angle_alpha   60.85
_cell_angle_beta   60.85
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeF6
_chemical_formula_sum   'Zn1 Fe1 F6'
_cell_volume   108.86
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.26  0.74  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  F  F2  1  0.18  0.12  0.57  1.0
  F  F3  1  0.39  0.12  0.08  1.0
  F  F4  1  0.43  0.12  0.99  1.0
  F  F5  1  0.57  0.41  0.48  1.0
  F  F6  1  0.61  0.41  0.39  1.0
  F  F7  1  0.82  0.41  0.9  1.0

Zn Fe F F F F F F