data_[Tb3Ce2Y1Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.4741]
_cell_length_b [6.4741]
_cell_length_c [11.8527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Tb3Ce2YEr6]
_chemical_formula_sum '[Tb3 Ce2 Y1 Er6]'
_cell_volume [430.2334]
_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  0.3333  0.6667  0.5000  1.0
  Tb  Tb1  1  0.0000  0.0000  0.5000  1.0
  Ce  Ce2  2  0.3333  0.6667  0.0000  1.0
  Y  Y3  1  0.0000  0.0000  0.0000  1.0
  Er  Er4  6  0.0000  0.3356  0.2476  1.0
]