# generated using pymatgen
data_LiLuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28628256
_cell_length_b   6.28628256
_cell_length_c   5.04016627
_cell_angle_alpha   66.75155066
_cell_angle_beta   66.75155066
_cell_angle_gamma   111.20280318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLuF4
_chemical_formula_sum   'Li2 Lu2 F8'
_cell_volume   132.84919062
_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  0.88007313  0.11992687  0.25000000  1
  Li  Li1  1  0.11992687  0.88007313  0.75000000  1
  Lu  Lu2  1  0.62587039  0.37412961  0.75000000  1
  Lu  Lu3  1  0.37412961  0.62587039  0.25000000  1
  F  F4  1  0.37086874  0.95907964  0.86790846  1
  F  F5  1  0.24016292  0.32659255  0.79439158  1
  F  F6  1  0.67340745  0.75983708  0.70560842  1
  F  F7  1  0.62913126  0.04092036  0.13209154  1
  F  F8  1  0.32659255  0.24016292  0.29439158  1
  F  F9  1  0.75983708  0.67340745  0.20560842  1
  F  F10  1  0.95907964  0.37086874  0.36790846  1
  F  F11  1  0.04092036  0.62913126  0.63209154  1
