data_[Pr4Er2Tm16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0527]
_cell_length_b [4.9799]
_cell_length_c [7.9434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2ErTm8]
_chemical_formula_sum '[Pr4 Er2 Tm16]'
_cell_volume [689.2816]
_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  0.2265  0.0000  0.6379  1.0
  Er  Er1  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm2  4  0.0441  0.0000  0.7279  1.0
  Tm  Tm3  4  0.0886  0.5000  0.4529  1.0
  Tm  Tm4  4  0.1344  0.0000  0.1764  1.0
  Tm  Tm5  4  0.1804  0.5000  0.9081  1.0
]