# generated using pymatgen
data_Ti4BeSiH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00437905
_cell_length_b   5.00437941
_cell_length_c   5.00437902
_cell_angle_alpha   103.88176040
_cell_angle_beta   103.88175695
_cell_angle_gamma   121.34311700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4BeSiH2
_chemical_formula_sum   'Ti4 Be1 Si1 H2'
_cell_volume   93.31959304
_cell_formula_units_Z   1
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  0.16229965  0.66229965  0.82460231  1.0
  Ti  Ti1  1  0.83770035  0.33770035  0.17539769  1.0
  Ti  Ti2  1  0.33770035  0.16229965  0.50000000  1.0
  Ti  Ti3  1  0.66229965  0.83770035  0.50000000  1.0
  Be  Be4  1  0.25000000  0.25000000  0.00000000  1.0
  Si  Si5  1  0.75000000  0.75000000  0.00000000  1.0
  H  H6  1  0.75000000  0.25000000  0.50000000  1.0
  H  H7  1  0.25000000  0.75000000  0.50000000  1.0