data_[Tb2Mg4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7896]
_cell_length_b [3.9845]
_cell_length_c [10.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(MgNi)2]
_chemical_formula_sum '[Tb2 Mg4 Ni4]'
_cell_volume [193.2599]
_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  0.4923  0.2500  0.2339  1
  Mg  Mg1  2  0.0705  0.2500  0.8956  1
  Mg  Mg2  2  0.2463  0.2500  0.5127  1
  Ni  Ni3  2  0.1927  0.7500  0.3478  1
  Ni  Ni4  2  0.3919  0.7500  0.0247  1
]