data_[Tm2Zr2Sc2]
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 [P2_1/m]
_cell_length_a [5.3022]
_cell_length_b [3.2766]
_cell_length_c [9.0123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmZrSc]
_chemical_formula_sum '[Tm2 Zr2 Sc2]'
_cell_volume [156.3003]
_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  0.2574  0.7500  0.5713  1.0
  Zr  Zr1  2  0.3010  0.2500  0.8990  1.0
  Sc  Sc2  2  0.2207  0.2500  0.2280  1.0
]