# generated using pymatgen
data_LiCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12958128
_cell_length_b   6.12958128
_cell_length_c   6.12958128
_cell_angle_alpha   129.45350444
_cell_angle_beta   129.45350444
_cell_angle_gamma   74.28195220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuF4
_chemical_formula_sum   'Li2 Cu2 F8'
_cell_volume   133.85008604
_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  0.75000000  0.75000000  0.00000000  1
  Li  Li1  1  0.25000000  0.25000000  0.00000000  1
  Cu  Cu2  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1
  F  F4  1  0.45357700  0.30241000  0.50000000  1
  F  F5  1  0.95357700  0.45357700  0.15116700  1
  F  F6  1  0.19759000  0.04642300  0.50000000  1
  F  F7  1  0.30241000  0.80241000  0.84883300  1
  F  F8  1  0.69759000  0.19759000  0.15116700  1
  F  F9  1  0.80241000  0.95357700  0.50000000  1
  F  F10  1  0.04642300  0.54642300  0.84883300  1
  F  F11  1  0.54642300  0.69759000  0.50000000  1
