# generated using pymatgen
data_ZrCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58582600
_cell_length_b   5.59100167
_cell_length_c   5.67918708
_cell_angle_alpha   119.25147273
_cell_angle_beta   118.15779910
_cell_angle_gamma   90.52383670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuF6
_chemical_formula_sum   'Zr1 Cu1 F6'
_cell_volume   129.63728175
_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  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  F  F2  1  0.78744600  0.28782100  0.98799500  1.0
  F  F3  1  0.29462800  0.78450200  0.51971400  1.0
  F  F4  1  0.21255400  0.71217900  0.01200500  1.0
  F  F5  1  0.70537200  0.21549800  0.48028600  1.0
  F  F6  1  0.75793400  0.75178900  0.07816300  1.0
  F  F7  1  0.24206600  0.24821100  0.92183700  1.0