# generated using pymatgen
data_Li3CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88016607
_cell_length_b   2.88016607
_cell_length_c   20.45220000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuF4
_chemical_formula_sum   'Li6 Cu2 F8'
_cell_volume   146.92838828
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.66666700  0.33333300  0.38412600  1
  Li  Li3  1  0.66666700  0.33333300  0.11587400  1
  Li  Li4  1  0.33333300  0.66666700  0.88412600  1
  Li  Li5  1  0.33333300  0.66666700  0.61587400  1
  Cu  Cu6  1  0.66666700  0.33333300  0.75000000  1
  Cu  Cu7  1  0.33333300  0.66666700  0.25000000  1
  F  F8  1  0.00000000  0.00000000  0.67169200  1
  F  F9  1  0.66666700  0.33333300  0.94192200  1
  F  F10  1  0.66666700  0.33333300  0.55807800  1
  F  F11  1  0.00000000  0.00000000  0.17169200  1
  F  F12  1  0.00000000  0.00000000  0.82830800  1
  F  F13  1  0.33333300  0.66666700  0.44192200  1
  F  F14  1  0.00000000  0.00000000  0.32830800  1
  F  F15  1  0.33333300  0.66666700  0.05807800  1
