data_[Tb4Pm6Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0834]
_cell_length_b [4.1079]
_cell_length_c [8.3433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Pm3ErSe6]
_chemical_formula_sum '[Tb4 Pm6 Er2 Se12]'
_cell_volume [600.6465]
_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  0.1674  0.0000  0.3345  1
  Pm  Pm1  4  0.1681  0.0000  0.8330  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0017  0.0000  0.2404  1
  Se  Se5  4  0.1625  0.5000  0.0874  1
  Se  Se6  4  0.1683  0.5000  0.5776  1
]