# generated using pymatgen
data_LiLuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70459847
_cell_length_b   7.70459847
_cell_length_c   7.70459847
_cell_angle_alpha   131.13240583
_cell_angle_beta   131.13240583
_cell_angle_gamma   71.60279825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLuF2
_chemical_formula_sum   'Li4 Lu4 F8'
_cell_volume   253.86667800
_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  0.37500000  0.12500000  0.25000000  1
  Li  Li1  1  0.87500000  0.12500000  0.75000000  1
  Li  Li2  1  0.87500000  0.12500000  0.25000000  1
  Li  Li3  1  0.87500000  0.62500000  0.75000000  1
  Lu  Lu4  1  0.87500000  0.62500000  0.25000000  1
  Lu  Lu5  1  0.37500000  0.62500000  0.75000000  1
  Lu  Lu6  1  0.37500000  0.62500000  0.25000000  1
  Lu  Lu7  1  0.37500000  0.12500000  0.75000000  1
  F  F8  1  0.19098500  0.46090800  0.26992300  1
  F  F9  1  0.19098500  0.92106200  0.73007700  1
  F  F10  1  0.21090800  0.44098500  0.76992300  1
  F  F11  1  0.55901500  0.78909200  0.23007700  1
  F  F12  1  0.67106200  0.44098500  0.23007700  1
  F  F13  1  0.55901500  0.32893800  0.76992300  1
  F  F14  1  0.53909200  0.80901500  0.73007700  1
  F  F15  1  0.07893800  0.80901500  0.26992300  1
