data_[Y6Tm12Zr2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [6.0082]
_cell_length_b [10.3353]
_cell_length_c [11.4173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Tm6ZrSc2]
_chemical_formula_sum '[Y6 Tm12 Zr2 Sc4]'
_cell_volume [698.0474]
_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
[
  Y  Y0  4  0.0000  0.1671  0.5000  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  8  0.2444  0.1646  0.2383  1.0
  Tm  Tm3  4  0.2497  0.5000  0.2378  1.0
  Zr  Zr4  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc5  4  0.0000  0.3334  0.0000  1.0
]