data_[Tm2Th2Zr2Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4634]
_cell_length_b [4.7600]
_cell_length_c [9.3915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmThZrSc3]
_chemical_formula_sum '[Tm2 Th2 Zr2 Sc6]'
_cell_volume [316.2386]
_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  2  0.1691  0.2500  0.2979  1
  Th  Th1  2  0.4987  0.7500  0.8714  1
  Zr  Zr2  2  0.4987  0.7500  0.3818  1
  Sc  Sc3  2  0.1725  0.7500  0.0467  1
  Sc  Sc4  2  0.1759  0.2500  0.7878  1
  Sc  Sc5  2  0.1780  0.7500  0.5413  1
]