data_Ta2MoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   143.83
_cell_angle_beta   130.39
_cell_angle_gamma   62.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MoRh
_chemical_formula_sum   'Ta2 Mo1 Rh1'
_cell_volume   66.65
_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  0.0  1.0
  Ta  Ta3  1  0.65  0.0  0.32  1.0
  Mo  Mo0  1  0.0  0.0  0.47  1.0
  Rh  Rh1  1  0.0  0.23  0.28  1.0

data_Ta2MoRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.46
_cell_length_c   5.31
_cell_angle_alpha   114.81
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MoRh
_chemical_formula_sum   'Ta2 Mo1 Rh1'
_cell_volume   66.65
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.32  0.67  1.0
  Mo  Mo2  1  0.0  0.47  0.47  1.0
  Rh  Rh3  1  0.77  0.05  0.05  1.0

Ta Ta Mo Rh
Ta Ta Mo Rh 0 3 o o o 1 2 + o o 