data_[Tb6Er1Tm1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5093]
_cell_length_b [6.7147]
_cell_length_c [6.8840]
_cell_angle_alpha [119.0765]
_cell_angle_beta [102.5741]
_cell_angle_gamma [90.1082]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb6ErTm]
_chemical_formula_sum '[Tb6 Er1 Tm1]'
_cell_volume [254.6042]
_cell_formula_units_Z [1]
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  2  0.2307  0.5737  0.4783  1
  Tb  Tb1  2  0.2503  0.5522  0.0001  1
  Tb  Tb2  2  0.2702  0.0955  0.5231  1
  Er  Er3  1  0.0000  0.0000  0.0000  1
  Tm  Tm4  1  0.5000  0.0000  0.0000  1
]