# generated using pymatgen
data_LiHoF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85855096
_cell_length_b   7.85855096
_cell_length_c   7.85855096
_cell_angle_alpha   132.20023613
_cell_angle_beta   132.20023613
_cell_angle_gamma   69.91295896
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHoF2
_chemical_formula_sum   'Li4 Ho4 F8'
_cell_volume   261.15138887
_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
  Ho  Ho4  1  0.87500000  0.62500000  0.25000000  1
  Ho  Ho5  1  0.37500000  0.62500000  0.75000000  1
  Ho  Ho6  1  0.37500000  0.62500000  0.25000000  1
  Ho  Ho7  1  0.37500000  0.12500000  0.75000000  1
  F  F8  1  0.19316700  0.45180500  0.25863800  1
  F  F9  1  0.19316700  0.93453000  0.74136200  1
  F  F10  1  0.20180500  0.44316700  0.75863800  1
  F  F11  1  0.55683300  0.79819500  0.24136200  1
  F  F12  1  0.68453000  0.44316700  0.24136200  1
  F  F13  1  0.55683300  0.31547000  0.75863800  1
  F  F14  1  0.54819500  0.80683300  0.74136200  1
  F  F15  1  0.06547000  0.80683300  0.25863800  1
