data_[Pr8Ho16Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1944]
_cell_length_b [11.5726]
_cell_length_c [6.1316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2Ho4Er3]
_chemical_formula_sum '[Pr8 Ho16 Er12]'
_cell_volume [1141.5091]
_cell_formula_units_Z [4]
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
[
  Pr  Pr0  8  0.1228  0.3539  0.8214  1.0
  Ho  Ho1  8  0.0468  0.1389  0.5144  1.0
  Ho  Ho2  8  0.2172  0.3615  0.3483  1.0
  Er  Er3  8  0.1641  0.0976  0.0973  1.0
  Er  Er4  4  0.0000  0.3999  0.2500  1.0
]