data_[Pr4Ho8Er12]
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/m]
_cell_length_a [21.9953]
_cell_length_b [3.6474]
_cell_length_c [11.2548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrHo2Er3]
_chemical_formula_sum '[Pr4 Ho8 Er12]'
_cell_volume [776.1319]
_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  4  0.1111  0.5000  0.2365  1.0
  Ho  Ho1  4  0.0573  0.0000  0.9261  1.0
  Ho  Ho2  4  0.2243  0.5000  0.0972  1.0
  Er  Er3  4  0.0545  0.0000  0.4344  1.0
  Er  Er4  4  0.1114  0.5000  0.7354  1.0
  Er  Er5  4  0.2209  0.5000  0.5978  1.0
]