# generated using pymatgen
data_LiYF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13609687
_cell_length_b   5.15094468
_cell_length_c   6.46978858
_cell_angle_alpha   113.24101994
_cell_angle_beta   113.19670443
_cell_angle_gamma   90.36745695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYF4
_chemical_formula_sum   'Li2 Y2 F8'
_cell_volume   141.88045365
_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  0.37471740  0.12289802  0.74629568  1
  Li  Li1  1  0.62528360  0.87710198  0.25370432  1
  Y  Y2  1  0.12457579  0.37451100  0.24941341  1
  Y  Y3  1  0.87542421  0.62549000  0.75058659  1
  F  F4  1  0.45864007  0.76382080  0.58695535  1
  F  F5  1  0.26431593  0.63215155  0.08815558  1
  F  F6  1  0.87098321  0.67661497  0.41236606  1
  F  F7  1  0.82331589  0.95599921  0.08824933  1
  F  F8  1  0.54135993  0.23617920  0.41304465  1
  F  F9  1  0.12901679  0.32338503  0.58763394  1
  F  F10  1  0.17668411  0.04400079  0.91175067  1
  F  F11  1  0.73568407  0.36784845  0.91184442  1
