data_[Er12Tm12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [8.7323]
_cell_length_b [12.8707]
_cell_length_c [7.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [ErTmRh]
_chemical_formula_sum '[Er12 Tm12 Rh12]'
_cell_volume [849.2021]
_cell_formula_units_Z [12]
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
[
  Er  Er0  4  0.2500  0.0073  0.8438  1.0
  Er  Er1  4  0.2500  0.2104  0.4457  1.0
  Er  Er2  4  0.2500  0.7005  0.9596  1.0
  Tm  Tm3  8  0.0096  0.6302  0.6243  1.0
  Tm  Tm4  4  0.0000  0.0000  0.5130  1.0
  Rh  Rh5  8  0.0289  0.6653  0.2583  1.0
  Rh  Rh6  4  0.2500  0.0125  0.2523  1.0
]