# generated using pymatgen
data_TiBe(BMo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53119655
_cell_length_b   4.53119633
_cell_length_c   6.27082913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   139.06058613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe(BMo)3
_chemical_formula_sum   'Ti1 Be1 B3 Mo3'
_cell_volume   84.36548571
_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  0.84955606  0.15044394  0.00000000  1.0
  Be  Be1  1  0.56672098  0.43327902  0.50000000  1.0
  B  B2  1  0.55769738  0.44230262  0.00000000  1.0
  B  B3  1  0.43765065  0.56234935  0.24384531  1.0
  B  B4  1  0.43765065  0.56234935  0.75615469  1.0
  Mo  Mo5  1  0.85605238  0.14394762  0.50000000  1.0
  Mo  Mo6  1  0.14733545  0.85266455  0.24294688  1.0
  Mo  Mo7  1  0.14733545  0.85266455  0.75705312  1.0