data_[Tm2Zr10Sc12]
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/m]
_cell_length_a [5.5759]
_cell_length_b [9.6617]
_cell_length_c [10.9433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmZr5Sc6]
_chemical_formula_sum '[Tm2 Zr10 Sc12]'
_cell_volume [580.8192]
_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  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  4  0.0000  0.1684  0.5000  1.0
  Zr  Zr2  4  0.0000  0.3334  0.0000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc4  8  0.2454  0.3288  0.7454  1.0
  Sc  Sc5  4  0.2435  0.5000  0.2551  1.0
]