data_[Y20Tm4Cd4]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7269]
_cell_length_b [12.4319]
_cell_length_c [8.0968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y5TmCd]
_chemical_formula_sum '[Y20 Tm4 Cd4]'
_cell_volume [874.9512]
_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  8  0.0805  0.3292  0.0973  1
  Y  Y1  8  0.2067  0.4483  0.8384  1
  Y  Y2  4  0.0000  0.0890  0.2500  1
  Tm  Tm3  4  0.0000  0.1683  0.7500  1
  Cd  Cd4  4  0.2500  0.2500  0.5000  1
]