data_[Pr8Ho2Er6]
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 [Pmn2_1]
_cell_length_a [11.6768]
_cell_length_b [7.3407]
_cell_length_c [6.3263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4HoEr3]
_chemical_formula_sum '[Pr8 Ho2 Er6]'
_cell_volume [542.2679]
_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  4  0.2485  0.8679  0.4846  1.0
  Pr  Pr1  2  0.0000  0.1330  0.6462  1.0
  Pr  Pr2  2  0.0000  0.8679  0.1413  1.0
  Ho  Ho3  2  0.0000  0.3822  0.1499  1.0
  Er  Er4  4  0.2497  0.6168  0.9799  1.0
  Er  Er5  2  0.0000  0.6160  0.6488  1.0
]