data_Ta2AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   148.55
_cell_angle_beta   128.04
_cell_angle_gamma   62.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlRh
_chemical_formula_sum   'Ta2 Al1 Rh1'
_cell_volume   65.85
_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
  Ta  Ta2  1  0.0  0.0  0.1  1.0
  Ta  Ta3  1  0.0  0.39  0.35  1.0
  Al  Al0  1  0.0  0.0  0.48  1.0
  Rh  Rh1  1  0.48  0.0  0.4  1.0

data_Ta2AlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.77
_cell_length_c   5.45
_cell_angle_alpha   115.98
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlRh
_chemical_formula_sum   'Ta2 Al1 Rh1'
_cell_volume   65.85
_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
  Ta  Ta0  1  0.0  0.1  0.1  1.0
  Ta  Ta1  1  0.61  0.97  0.97  1.0
  Al  Al2  1  0.0  0.48  0.48  1.0
  Rh  Rh3  1  0.0  0.4  0.93  1.0

Ta Ta Al Rh
Ta Ta Al Rh 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 