data_[Tb2Er6Mg12]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2204]
_cell_length_b [5.2522]
_cell_length_c [11.2019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(ErMg2)3]
_chemical_formula_sum '[Tb2 Er6 Mg12]'
_cell_volume [522.3473]
_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  2  0.0514  0.2500  0.3987  1
  Er  Er1  2  0.2516  0.2500  0.9967  1
  Er  Er2  2  0.3515  0.7500  0.7971  1
  Er  Er3  2  0.4548  0.2500  0.6027  1
  Mg  Mg4  2  0.0474  0.7500  0.9010  1
  Mg  Mg5  2  0.1450  0.2500  0.7012  1
  Mg  Mg6  2  0.1465  0.7500  0.1949  1
  Mg  Mg7  2  0.2459  0.7500  0.4919  1
  Mg  Mg8  2  0.3426  0.2500  0.2945  1
  Mg  Mg9  2  0.4436  0.7500  0.1009  1
]