data_[Tb4Mg5Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8939]
_cell_length_b [3.5944]
_cell_length_c [9.8467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4Mg5Ru2]
_chemical_formula_sum '[Tb4 Mg5 Ru2]'
_cell_volume [278.8171]
_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  0.1654  0.5000  0.8523  1.0
  Tb  Tb1  2  0.2023  0.5000  0.4529  1.0
  Mg  Mg2  2  0.1861  0.0000  0.1613  1.0
  Mg  Mg3  2  0.4434  0.0000  0.6749  1.0
  Mg  Mg4  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru5  2  0.0718  0.0000  0.6499  1.0
]