# generated using pymatgen
data_BeF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66727786
_cell_length_b   4.66726892
_cell_length_c   5.18279693
_cell_angle_alpha   90.01954094
_cell_angle_beta   89.98053777
_cell_angle_gamma   120.00670884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeF2
_chemical_formula_sum   'Be3 F6'
_cell_volume   97.76691445
_cell_formula_units_Z   3
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
  Be  Be0  1  0.46616539  0.00031576  0.33329161  1.0
  Be  Be1  1  0.00032023  0.46616757  0.66670809  1.0
  Be  Be2  1  0.53392025  0.53391927  -0.00000039  1.0
  F  F3  1  0.41147779  0.27759956  0.22227300  1.0
  F  F4  1  0.72236610  0.13415306  0.55560578  1.0
  F  F5  1  0.86588164  0.58812008  0.88902895  1.0
  F  F6  1  0.13415384  0.72236673  0.44439474  1.0
  F  F7  1  0.58811798  0.86588137  0.11096984  1.0
  F  F8  1  0.27759678  0.41147560  0.77772838  1.0