# generated using pymatgen
data_LiCuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99932600
_cell_length_b   5.26451448
_cell_length_c   8.60058799
_cell_angle_alpha   89.96622443
_cell_angle_beta   89.73426473
_cell_angle_gamma   89.97557767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuF3
_chemical_formula_sum   'Li4 Cu4 F12'
_cell_volume   226.35658837
_cell_formula_units_Z   4
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  0.49852400  0.99801100  0.31215100  1
  Li  Li1  1  0.99991900  0.00283600  0.33081500  1
  Li  Li2  1  0.49160700  0.51627600  0.83216700  1
  Li  Li3  1  0.99624100  0.49730600  0.80174000  1
  Cu  Cu4  1  0.00130600  0.99885500  0.65146200  1
  Cu  Cu5  1  0.00169900  0.99954100  0.00475200  1
  Cu  Cu6  1  0.50098200  0.49855500  0.50403900  1
  Cu  Cu7  1  0.50149100  0.49808600  0.15131000  1
  F  F8  1  0.22242500  0.86032700  0.16703000  1
  F  F9  1  0.22188300  0.85519000  0.49044900  1
  F  F10  1  0.18225100  0.82057800  0.82716200  1
  F  F11  1  0.68189400  0.67412900  0.32818300  1
  F  F12  1  0.71965200  0.64896100  0.99145200  1
  F  F13  1  0.72230800  0.64073300  0.66561700  1
  F  F14  1  0.27823600  0.35856800  0.66625100  1
  F  F15  1  0.28249500  0.35150700  0.99176800  1
  F  F16  1  0.31854300  0.32427100  0.32845200  1
  F  F17  1  0.82220500  0.17210800  0.82777800  1
  F  F18  1  0.77959000  0.14468800  0.49219700  1
  F  F19  1  0.77669500  0.13967700  0.16736800  1
