data_[Tb4Lu4Mn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Lu  1.2700  1.7500  1.0010
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1780]
_cell_length_b [7.1780]
_cell_length_c [7.1780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [TbLuMn4]
_chemical_formula_sum '[Tb4 Lu4 Mn16]'
_cell_volume [369.8346]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.2500  1
  Lu  Lu1  4  0.0000  0.0000  0.0000  1
  Mn  Mn2  16  0.1252  0.1252  0.6252  1
]