# generated using pymatgen
data_CaFeAsF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93333600
_cell_length_b   3.98127600
_cell_length_c   9.01891800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeAsF
_chemical_formula_sum   'Ca2 Fe2 As2 F2'
_cell_volume   141.23351608
_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
  Ca  Ca0  1  0.50000000  0.00000000  0.14409500  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.85590500  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.49185700  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50814300  1.0
  As  As4  1  0.50000000  0.00000000  0.68090000  1.0
  As  As5  1  0.00000000  0.50000000  0.31910000  1.0
  F  F6  1  0.50000000  0.50000000  0.00054900  1.0
  F  F7  1  0.00000000  0.00000000  0.99945100  1.0