data_[Tb6Pr8Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.8065]
_cell_length_b [7.3200]
_cell_length_c [6.3440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3Pr4Er]
_chemical_formula_sum '[Tb6 Pr8 Er2]'
_cell_volume [548.2724]
_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
[
  Tb  Tb0  4  0.2500  0.3801  0.0218  1.0
  Tb  Tb1  2  0.0000  0.3788  0.3489  1.0
  Pr  Pr2  4  0.2480  0.8716  0.0167  1.0
  Pr  Pr3  2  0.0000  0.1276  0.8504  1.0
  Pr  Pr4  2  0.0000  0.8722  0.3567  1.0
  Er  Er5  2  0.0000  0.6192  0.8517  1.0
]