data_[Pr3Er3Tm6In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3276]
_cell_length_b [5.3276]
_cell_length_c [26.2231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrEr(TmIn2)2]
_chemical_formula_sum '[Pr3 Er3 Tm6 In12]'
_cell_volume [644.5694]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Er  Er1  3  -0.0000  -0.0000  0.5000  1
  Tm  Tm2  6  0.0000  0.0000  0.2494  1
  In  In3  6  0.0000  0.0000  0.1269  1
  In  In4  6  0.0000  0.0000  0.3773  1
]