# generated using pymatgen
data_LiYF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36388199
_cell_length_b   7.36388199
_cell_length_c   7.36388199
_cell_angle_alpha   125.62281706
_cell_angle_beta   125.62281706
_cell_angle_gamma   80.50895490
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYF2
_chemical_formula_sum   'Li4 Y4 F8'
_cell_volume   254.50156182
_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  0.87500000  0.62500000  0.25000000  1
  Li  Li1  1  0.37500000  0.62500000  0.75000000  1
  Li  Li2  1  0.37500000  0.62500000  0.25000000  1
  Li  Li3  1  0.37500000  0.12500000  0.75000000  1
  Y  Y4  1  0.37500000  0.12500000  0.25000000  1
  Y  Y5  1  0.87500000  0.12500000  0.75000000  1
  Y  Y6  1  0.87500000  0.12500000  0.25000000  1
  Y  Y7  1  0.87500000  0.62500000  0.75000000  1
  F  F8  1  0.20848000  0.41391300  0.20543300  1
  F  F9  1  0.20848000  0.00304800  0.79456700  1
  F  F10  1  0.16391300  0.45848000  0.70543300  1
  F  F11  1  0.54152000  0.83608700  0.29456700  1
  F  F12  1  0.75304800  0.45848000  0.29456700  1
  F  F13  1  0.54152000  0.24695200  0.70543300  1
  F  F14  1  0.58608700  0.79152000  0.79456700  1
  F  F15  1  0.99695200  0.79152000  0.20543300  1
