# generated using pymatgen
data_TiBe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00592664
_cell_length_b   4.00592661
_cell_length_c   4.00592636
_cell_angle_alpha   59.99890511
_cell_angle_beta   59.99890570
_cell_angle_gamma   59.99889852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Ir
_chemical_formula_sum   'Ti1 Be2 Ir1'
_cell_volume   45.45515501
_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  0.75000062  0.75000064  0.75000064  1.0
  Be  Be1  1  0.50000032  0.50000032  0.50000032  1.0
  Be  Be2  1  -0.00000094  -0.00000094  -0.00000094  1.0
  Ir  Ir3  1  0.25000000  0.24999997  0.24999997  1.0