data_BaCu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.19
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Rh
_chemical_formula_sum   'Ba1 Cu2 Rh1'
_cell_volume   96.77
_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
  Ba  Ba0  1  0.11  0.1  0.19  1.0
  Cu  Cu1  1  0.58  0.0  0.07  1.0
  Cu  Cu2  1  0.65  0.1  0.51  1.0
  Rh  Rh3  1  0.97  0.0  0.47  1.0

data_BaCu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.71
_cell_length_c   4.95
_cell_angle_alpha   98.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Rh
_chemical_formula_sum   'Ba1 Cu2 Rh1'
_cell_volume   96.77
_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
  Ba  Ba0  1  0.9  0.89  0.81  1.0
  Cu  Cu1  1  0.0  0.42  0.93  1.0
  Cu  Cu2  1  0.9  0.35  0.49  1.0
  Rh  Rh3  1  0.0  0.03  0.53  1.0

Ba Cu Cu Rh