# generated using pymatgen
data_Li3CuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19212016
_cell_length_b   6.19212016
_cell_length_c   6.81891336
_cell_angle_alpha   74.51137645
_cell_angle_beta   74.51137645
_cell_angle_gamma   57.68496247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuF5
_chemical_formula_sum   'Li6 Cu2 F10'
_cell_volume   210.44099444
_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
  Li  Li0  1  0.55137200  0.94873700  0.67241800  1
  Li  Li1  1  0.94873700  0.55137200  0.17241800  1
  Li  Li2  1  0.51110900  0.48889100  0.75000000  1
  Li  Li3  1  0.48889100  0.51110900  0.25000000  1
  Li  Li4  1  0.05126300  0.44862800  0.82758200  1
  Li  Li5  1  0.44862800  0.05126300  0.32758200  1
  Cu  Cu6  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu7  1  0.00000000  0.00000000  0.50000000  1
  F  F8  1  0.26148500  0.08463000  0.86856300  1
  F  F9  1  0.45916100  0.77077400  0.54313900  1
  F  F10  1  0.16938200  0.83061800  0.25000000  1
  F  F11  1  0.77077400  0.45916100  0.04313900  1
  F  F12  1  0.08463000  0.26148500  0.36856300  1
  F  F13  1  0.91537000  0.73851500  0.63143700  1
  F  F14  1  0.22922600  0.54083900  0.95686100  1
  F  F15  1  0.83061800  0.16938200  0.75000000  1
  F  F16  1  0.54083900  0.22922600  0.45686100  1
  F  F17  1  0.73851500  0.91537000  0.13143700  1
