data_Ta2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.9
_cell_angle_alpha   101.39
_cell_angle_beta   101.39
_cell_angle_gamma   35.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuRh
_chemical_formula_sum   'Ta2 Cu1 Rh1'
_cell_volume   63.16
_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  0.12  0.0  0.68  1.0
  Ta  Ta3  1  0.59  0.0  0.34  1.0
  Cu  Cu0  1  0.1  0.0  0.34  1.0
  Rh  Rh1  1  0.48  0.0  0.62  1.0

data_Ta2CuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.79
_cell_length_c   4.9
_cell_angle_alpha   101.39
_cell_angle_beta   90.0
_cell_angle_gamma   107.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuRh
_chemical_formula_sum   'Ta2 Cu1 Rh1'
_cell_volume   63.16
_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  0.41  0.66  1.0
  Ta  Ta1  1  0.0  0.88  0.32  1.0
  Cu  Cu2  1  0.0  0.9  0.66  1.0
  Rh  Rh3  1  0.0  0.52  0.38  1.0

Ta Ta Cu Rh
Ta Ta Cu Rh 0 2 o o o 0 3 o o o 1 3 o o o 