# generated using pymatgen
data_Ti3BeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33292988
_cell_length_b   5.33292916
_cell_length_c   7.95594877
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.72073937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3BeO
_chemical_formula_sum   'Ti6 Be2 O2'
_cell_volume   124.15798331
_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  0.94293433  0.05706567  0.25000000  1.0
  Ti  Ti1  1  0.05706567  0.94293433  0.75000000  1.0
  Ti  Ti2  1  0.63484776  0.36515224  0.44917662  1.0
  Ti  Ti3  1  0.36515224  0.63484776  0.55082338  1.0
  Ti  Ti4  1  0.63484776  0.36515224  0.05082338  1.0
  Ti  Ti5  1  0.36515224  0.63484776  0.94917662  1.0
  Be  Be6  1  0.25680875  0.74319125  0.25000000  1.0
  Be  Be7  1  0.74319125  0.25680875  0.75000000  1.0
  O  O8  1  0.00000000  0.00000000  0.50000000  1.0
  O  O9  1  0.00000000  0.00000000  0.00000000  1.0