# generated using pymatgen
data_CrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81541501
_cell_length_b   5.81541501
_cell_length_c   5.81541501
_cell_angle_alpha   149.81516052
_cell_angle_beta   97.92364862
_cell_angle_gamma   89.87044069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrF5
_chemical_formula_sum   'Cr1 F5'
_cell_volume   95.20404767
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  F  F1  1  0.84031900  0.50000000  0.34031900  1.0
  F  F2  1  0.15968100  0.50000000  0.65968100  1.0
  F  F3  1  0.21506300  0.21506300  0.00000000  1.0
  F  F4  1  0.78493700  0.78493700  0.00000000  1.0
  F  F5  1  0.50000000  0.00000000  0.50000000  1.0