data_[Pr2Y4Ho12Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1186]
_cell_length_b [10.5766]
_cell_length_c [11.7560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY2(Ho2Er)3]
_chemical_formula_sum '[Pr2 Y4 Ho12 Er6]'
_cell_volume [749.2930]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Y  Y1  4  0.0000  0.3333  0.0000  1.0
  Ho  Ho2  8  0.2480  0.3329  0.7470  1.0
  Ho  Ho3  4  0.2495  0.0000  0.7473  1.0
  Er  Er4  4  0.0000  0.1671  0.5000  1.0
  Er  Er5  2  0.0000  0.5000  0.5000  1.0
]