data_[Pr3Ho2Er8]
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 [P2/m]
_cell_length_a [8.1300]
_cell_length_b [5.2427]
_cell_length_c [10.4220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr3(HoEr4)2]
_chemical_formula_sum '[Pr3 Ho2 Er8]'
_cell_volume [429.6764]
_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
[
  Pr  Pr0  2  0.2742  0.0000  0.9313  1
  Pr  Pr1  1  0.0000  0.5000  0.0000  1
  Ho  Ho2  2  0.3225  0.5000  0.4073  1
  Er  Er3  2  0.1112  0.5000  0.6764  1
  Er  Er4  2  0.1589  0.0000  0.2382  1
  Er  Er5  2  0.3867  0.0000  0.6169  1
  Er  Er6  2  0.4615  0.5000  0.1489  1
]