# generated using pymatgen
data_AlCuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16082438
_cell_length_b   5.16082438
_cell_length_c   5.16082438
_cell_angle_alpha   139.25209255
_cell_angle_beta   105.37693396
_cell_angle_gamma   88.69601907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuF5
_chemical_formula_sum   'Al1 Cu1 F5'
_cell_volume   82.97147001
_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
  Al  Al0  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  F  F2  1  0.79210000  0.50000000  0.29210000  1.0
  F  F3  1  0.20790000  0.50000000  0.70790000  1.0
  F  F4  1  0.25305100  0.25305100  0.00000000  1.0
  F  F5  1  0.74694900  0.74694900  0.00000000  1.0
  F  F6  1  0.50000000  0.00000000  0.50000000  1.0