data_[Tb3Sm4Er2]
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 [P-1]
_cell_length_a [6.1918]
_cell_length_b [6.1995]
_cell_length_c [9.4542]
_cell_angle_alpha [108.9527]
_cell_angle_beta [90.0999]
_cell_angle_gamma [119.9487]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb3(Sm2Er)2]
_chemical_formula_sum '[Tb3 Sm4 Er2]'
_cell_volume [291.3939]
_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  0.4441  0.5556  0.3347  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  2  0.1116  0.8895  0.3342  1
  Sm  Sm3  2  0.3340  0.6676  0.9999  1
  Er  Er4  2  0.2212  0.7764  0.6655  1
]