# generated using pymatgen
data_CaFeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62010354
_cell_length_b   5.62010397
_cell_length_c   5.62010309
_cell_angle_alpha   55.67310721
_cell_angle_beta   55.67310468
_cell_angle_gamma   55.67310602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeF6
_chemical_formula_sum   'Ca1 Fe1 F6'
_cell_volume   112.92069749
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe1  1  0.00000000  -0.00000000  -0.00000000  1.0
  F  F2  1  0.64471086  0.91556377  0.21451319  1.0
  F  F3  1  0.91556377  0.21451319  0.64471086  1.0
  F  F4  1  0.78548681  0.35528914  0.08443623  1.0
  F  F5  1  0.08443623  0.78548681  0.35528914  1.0
  F  F6  1  0.35528914  0.08443623  0.78548681  1.0
  F  F7  1  0.21451319  0.64471086  0.91556377  1.0