# generated using pymatgen
data_BeF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28621084
_cell_length_b   8.28621084
_cell_length_c   8.28621084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeF2
_chemical_formula_sum   'Be12 F24'
_cell_volume   568.94192619
_cell_formula_units_Z   12
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  0.00000000  0.75000000  0.50000000  1.0
  Be  Be1  1  0.00000000  0.50000000  0.25000000  1.0
  Be  Be2  1  0.25000000  0.50000000  0.00000000  1.0
  Be  Be3  1  0.50000000  -0.00000000  0.75000000  1.0
  Be  Be4  1  0.50000000  -0.00000000  0.25000000  1.0
  Be  Be5  1  0.50000000  0.25000000  0.00000000  1.0
  Be  Be6  1  0.00000000  0.25000000  0.50000000  1.0
  Be  Be7  1  0.50000000  0.75000000  0.00000000  1.0
  Be  Be8  1  0.00000000  0.50000000  0.75000000  1.0
  Be  Be9  1  0.75000000  -0.00000000  0.50000000  1.0
  Be  Be10  1  0.75000000  0.50000000  0.00000000  1.0
  Be  Be11  1  0.25000000  -0.00000000  0.50000000  1.0
  F  F12  1  0.05484758  0.64284618  0.64284618  1.0
  F  F13  1  0.44515242  0.85715382  0.14284618  1.0
  F  F14  1  0.05484758  0.35715382  0.35715382  1.0
  F  F15  1  0.85715382  0.14284618  0.44515242  1.0
  F  F16  1  0.64284618  0.64284618  0.05484758  1.0
  F  F17  1  0.14284618  0.85715382  0.44515242  1.0
  F  F18  1  0.64284618  0.94515242  0.35715382  1.0
  F  F19  1  0.35715382  0.94515242  0.64284618  1.0
  F  F20  1  0.64284618  0.05484758  0.64284618  1.0
  F  F21  1  0.85715382  0.85715382  0.55484758  1.0
  F  F22  1  0.14284618  0.14284618  0.55484758  1.0
  F  F23  1  0.85715382  0.44515242  0.14284618  1.0
  F  F24  1  0.85715382  0.55484758  0.85715382  1.0
  F  F25  1  0.44515242  0.14284618  0.85715382  1.0
  F  F26  1  0.14284618  0.55484758  0.14284618  1.0
  F  F27  1  0.55484758  0.14284618  0.14284618  1.0
  F  F28  1  0.35715382  0.05484758  0.35715382  1.0
  F  F29  1  0.14284618  0.44515242  0.85715382  1.0
  F  F30  1  0.94515242  0.64284618  0.35715382  1.0
  F  F31  1  0.64284618  0.35715382  0.94515242  1.0
  F  F32  1  0.94515242  0.35715382  0.64284618  1.0
  F  F33  1  0.35715382  0.64284618  0.94515242  1.0
  F  F34  1  0.55484758  0.85715382  0.85715382  1.0
  F  F35  1  0.35715382  0.35715382  0.05484758  1.0