# generated using pymatgen
data_ZrCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66870170
_cell_length_b   5.66870312
_cell_length_c   5.66871305
_cell_angle_alpha   59.99992552
_cell_angle_beta   59.99995028
_cell_angle_gamma   60.00012420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuF6
_chemical_formula_sum   'Zr1 Cu1 F6'
_cell_volume   128.80620737
_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
  Zr  Zr0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0
  F  F2  1  0.25102101  0.74897899  0.74897899  1.0
  F  F3  1  0.74897899  0.25102101  0.74897899  1.0
  F  F4  1  0.25102201  0.25102201  0.74897799  1.0
  F  F5  1  0.25102101  0.74897899  0.25102101  1.0
  F  F6  1  0.74897899  0.25102101  0.25102101  1.0
  F  F7  1  0.74897799  0.74897799  0.25102201  1.0