data_Ti2BeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   145.57
_cell_angle_beta   130.08
_cell_angle_gamma   62.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeRh
_chemical_formula_sum   'Ti2 Be1 Rh1'
_cell_volume   56.45
_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  Ti2  1  0.0  0.0  0.61  1.0
  Ti  Ti3  1  0.51  0.0  0.2  1.0
  Be  Be0  1  0.0  0.0  0.55  1.0
  Rh  Rh1  1  0.0  0.15  0.09  1.0

data_Ti2BeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.3
_cell_length_c   5.09
_cell_angle_alpha   114.96
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeRh
_chemical_formula_sum   'Ti2 Be1 Rh1'
_cell_volume   56.45
_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  0.31  0.8  0.31  1.0
  Ti  Ti1  1  0.39  0.39  0.39  1.0
  Be  Be2  1  0.45  0.45  0.45  1.0
  Rh  Rh3  1  0.91  0.05  0.05  1.0

Ti Ti Be Rh