# generated using pymatgen
data_LiYF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28877403
_cell_length_b   4.99921929
_cell_length_c   5.28618494
_cell_angle_alpha   89.25419777
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYF4
_chemical_formula_sum   'Li2 Y2 F8'
_cell_volume   139.75352112
_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  0.75593249  0.00000000  0.75000000  1
  Li  Li1  1  0.24406751  0.00000000  0.25000000  1
  Y  Y2  1  0.74933688  0.50000000  0.25000000  1
  Y  Y3  1  0.25066312  0.50000000  0.75000000  1
  F  F4  1  0.43394026  0.26090896  0.06910542  1
  F  F5  1  0.43394026  0.73909104  0.43089458  1
  F  F6  1  0.93539252  0.26008403  0.93834842  1
  F  F7  1  0.93539252  0.73991597  0.56165158  1
  F  F8  1  0.06460748  0.73991597  0.06165158  1
  F  F9  1  0.06460748  0.26008403  0.43834842  1
  F  F10  1  0.56605974  0.26090896  0.56910542  1
  F  F11  1  0.56605974  0.73909104  0.93089458  1
