data_[Tm6Zr4Sc16]
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 [Pbam]
_cell_length_a [10.8322]
_cell_length_b [19.6028]
_cell_length_c [3.2351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tm3(ZrSc4)2]
_chemical_formula_sum '[Tm6 Zr4 Sc16]'
_cell_volume [686.9357]
_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
[
  Tm  Tm0  4  0.1738  0.2979  0.0000  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Zr  Zr2  4  0.1957  0.9180  0.5000  1
  Sc  Sc3  4  0.0063  0.1653  0.0000  1
  Sc  Sc4  4  0.0459  0.4312  0.5000  1
  Sc  Sc5  4  0.1094  0.7004  0.5000  1
  Sc  Sc6  4  0.2098  0.5551  0.0000  1
]