data_[Tb4Nd2Er2Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.5827]
_cell_length_b [6.4140]
_cell_length_c [6.3353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Tb2NdErTh]
_chemical_formula_sum '[Tb4 Nd2 Er2 Th2]'
_cell_volume [344.7224]
_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  0.3154  0.3133  0.7038  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Er  Er2  2  0.5000  0.1733  0.2500  1
  Th  Th3  2  0.0000  0.4517  0.2500  1
]