# generated using pymatgen
data_Li4CuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19892530
_cell_length_b   5.19892530
_cell_length_c   5.19892530
_cell_angle_alpha   98.91686709
_cell_angle_beta   98.91686709
_cell_angle_gamma   133.62991550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CuF5
_chemical_formula_sum   'Li4 Cu1 F5'
_cell_volume   93.49628785
_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
  Li  Li0  1  0.80739100  0.60715200  0.41454300  1
  Li  Li1  1  0.39284800  0.80739100  0.20023900  1
  Li  Li2  1  0.60715200  0.19260900  0.79976100  1
  Li  Li3  1  0.19260900  0.39284800  0.58545700  1
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1
  F  F5  1  0.88242700  0.32230100  0.20472800  1
  F  F6  1  0.50000000  0.50000000  0.00000000  1
  F  F7  1  0.67769900  0.88242700  0.56012700  1
  F  F8  1  0.32230100  0.11757300  0.43987300  1
  F  F9  1  0.11757300  0.67769900  0.79527200  1
