data_[Y12Er5Tm2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2517]
_cell_length_b [8.8018]
_cell_length_c [12.0302]
_cell_angle_alpha [69.8962]
_cell_angle_beta [80.0771]
_cell_angle_gamma [78.6688]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y12Er5Tm2]
_chemical_formula_sum '[Y12 Er5 Tm2]'
_cell_volume [605.5574]
_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
[
  Y  Y0  2  0.0861  0.6271  0.1592  1
  Y  Y1  2  0.1652  0.7067  0.8277  1
  Y  Y2  2  0.2450  0.9631  0.2089  1
  Y  Y3  2  0.2647  0.1026  0.6421  1
  Y  Y4  2  0.3091  0.2376  0.3347  1
  Y  Y5  2  0.4592  0.4282  0.6710  1
  Er  Er6  2  0.2127  0.8272  0.5101  1
  Er  Er7  2  0.3708  0.3360  0.0065  1
  Er  Er8  1  0.0000  0.5000  0.5000  1
  Tm  Tm9  2  0.2523  0.0038  0.9340  1
]