data_[Pr6Ho4Er6]
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 [Immm]
_cell_length_a [5.0078]
_cell_length_b [5.0907]
_cell_length_c [20.3771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Ho2Er3]
_chemical_formula_sum '[Pr6 Ho4 Er6]'
_cell_volume [519.4728]
_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  0.0000  0.0000  0.1259  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  4  0.0000  0.5000  0.2493  1.0
  Er  Er3  4  0.0000  0.0000  0.3728  1.0
  Er  Er4  2  0.0000  0.5000  0.5000  1.0
]