data_[Tb2Er16In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7819]
_cell_length_b [15.0513]
_cell_length_c [5.5786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Er4In)2]
_chemical_formula_sum '[Tb2 Er16 In4]'
_cell_volume [667.1802]
_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  0.0000  0.0000  0.5000  1
  Er  Er1  8  0.2095  0.1147  0.1246  1
  Er  Er2  4  0.0000  0.2156  0.5000  1
  Er  Er3  4  0.0949  0.5000  0.2965  1
  In  In4  4  0.0000  0.3067  0.0000  1
]