data_[Tm4Mg4Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8443]
_cell_length_b [5.7618]
_cell_length_c [11.1489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmMgSc4]
_chemical_formula_sum '[Tm4 Mg4 Sc16]'
_cell_volume [606.0301]
_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
[
  Tm  Tm0  4  0.2500  0.2500  0.5000  1.0
  Mg  Mg1  4  0.0000  0.0758  0.2500  1.0
  Sc  Sc2  8  0.0842  0.2527  0.0031  1.0
  Sc  Sc3  8  0.1645  0.4171  0.7504  1.0
]