data_TiBe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   142.95
_cell_angle_beta   128.65
_cell_angle_gamma   65.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Rh
_chemical_formula_sum   'Ti1 Be2 Rh1'
_cell_volume   47.06
_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  Ti3  1  0.0  0.0  0.84  1.0
  Be  Be0  1  0.48  0.0  0.73  1.0
  Be  Be1  1  0.0  0.0  0.12  1.0
  Rh  Rh2  1  0.48  0.0  0.1  1.0

data_TiBe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.04
_cell_length_c   4.66
_cell_angle_alpha   115.67
_cell_angle_beta   108.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Rh
_chemical_formula_sum   'Ti1 Be2 Rh1'
_cell_volume   47.06
_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  0.16  0.16  0.16  1.0
  Be  Be1  1  0.75  0.27  0.75  1.0
  Be  Be2  1  0.88  0.88  0.88  1.0
  Rh  Rh3  1  0.38  0.9  0.38  1.0

Ti Be Be Rh
Ti Be Be Rh 0 2 o o + 0 3 o o + 1 2 + o + 1 3 o o + 