data_[Tm16Zr4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6255]
_cell_length_b [14.0379]
_cell_length_c [6.0610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4ZrSc]
_chemical_formula_sum '[Tm16 Zr4 Sc4]'
_cell_volume [689.6085]
_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  8  0.0957  0.1901  0.0454  1
  Tm  Tm1  8  0.2028  0.3926  0.3645  1
  Zr  Zr2  4  0.0000  0.0007  0.2500  1
  Sc  Sc3  4  0.0000  0.4021  0.7500  1
]