data_[Al1Cu1Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3982]
_cell_length_b [2.7978]
_cell_length_c [4.7118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AlCuRh2]
_chemical_formula_sum '[Al1 Cu1 Rh2]'
_cell_volume [54.7278]
_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
[
  Al  Al0  1  0.5000  0.5000  0.0000  1
  Cu  Cu1  1  0.5000  0.0000  0.5000  1
  Rh  Rh2  1  0.0000  0.0000  0.0000  1
  Rh  Rh3  1  0.0000  0.5000  0.5000  1
]