# generated using pymatgen
data_Ti4Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27019019
_cell_length_b   6.27019019
_cell_length_c   6.27019019
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Be
_chemical_formula_sum   'Ti8 Be2'
_cell_volume   174.31194309
_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
  Ti  Ti0  1  0.60765200  0.60765200  0.60765200  1.0
  Ti  Ti1  1  0.17704500  0.60765200  0.60765200  1.0
  Ti  Ti2  1  0.60765200  0.17704500  0.60765200  1.0
  Ti  Ti3  1  0.57295500  0.14234800  0.14234800  1.0
  Ti  Ti4  1  0.14234800  0.14234800  0.14234800  1.0
  Ti  Ti5  1  0.60765200  0.60765200  0.17704500  1.0
  Ti  Ti6  1  0.14234800  0.57295500  0.14234800  1.0
  Ti  Ti7  1  0.14234800  0.14234800  0.57295500  1.0
  Be  Be8  1  0.00000000  0.00000000  0.00000000  1.0
  Be  Be9  1  0.75000000  0.75000000  0.75000000  1.0