data_[Tb8Sm2Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2649]
_cell_length_b [7.2770]
_cell_length_c [6.3100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4SmEr3]
_chemical_formula_sum '[Tb8 Sm2 Er6]'
_cell_volume [517.2585]
_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  0.2482  0.1254  0.5190  1.0
  Tb  Tb1  2  0.0000  0.1260  0.8538  1.0
  Tb  Tb2  2  0.0000  0.8743  0.3504  1.0
  Sm  Sm3  2  0.0000  0.6248  0.8520  1.0
  Er  Er4  4  0.2500  0.6244  0.5192  1.0
  Er  Er5  2  0.0000  0.3761  0.3520  1.0
]