data_[Y8Tm8Sc4]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0011]
_cell_length_b [4.9321]
_cell_length_c [11.0272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Tm2Sc]
_chemical_formula_sum '[Y8 Tm8 Sc4]'
_cell_volume [598.3138]
_cell_formula_units_Z [4]
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  0.0498  0.0000  0.3488  1.0
  Y  Y1  4  0.1514  0.0000  0.0497  1.0
  Tm  Tm2  4  0.0498  0.5000  0.8476  1.0
  Tm  Tm3  4  0.1520  0.5000  0.5498  1.0
  Sc  Sc4  4  0.2492  0.0000  0.7488  1.0
]