data_BaCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.38
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   100.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuRh2
_chemical_formula_sum   'Ba1 Cu1 Rh2'
_cell_volume   80.95
_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  0.01  0.0  0.96  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.32  0.19  0.05  1.0
  Rh  Rh3  1  0.69  0.19  0.87  1.0

data_BaCuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.38
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   100.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuRh2
_chemical_formula_sum   'Ba1 Cu1 Rh2'
_cell_volume   80.95
_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  0.01  0.0  0.96  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.32  0.19  0.05  1.0
  Rh  Rh3  1  0.69  0.19  0.87  1.0

Ba Cu Rh Rh