data_[Tb1Mg15Sc4]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5920]
_cell_length_b [4.5920]
_cell_length_c [22.2450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbMg15Sc4]
_chemical_formula_sum '[Tb1 Mg15 Sc4]'
_cell_volume [469.0706]
_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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.5000  0.1065  1
  Mg  Mg2  4  0.0000  0.5000  0.3040  1
  Mg  Mg3  2  0.0000  0.5000  0.5000  1
  Mg  Mg4  2  0.5000  0.5000  0.2062  1
  Mg  Mg5  2  0.5000  0.5000  0.4020  1
  Mg  Mg6  1  0.5000  0.5000  0.0000  1
  Sc  Sc7  2  0.0000  0.0000  0.2058  1
  Sc  Sc8  2  0.0000  0.0000  0.4024  1
]