data_[Y2Tl2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6395]
_cell_length_b [5.0031]
_cell_length_c [8.6491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YTlCd]
_chemical_formula_sum '[Y2 Tl2 Cd2]'
_cell_volume [157.4881]
_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  2  0.4889  0.2500  0.2569  1.0
  Tl  Tl1  2  0.1127  0.2500  0.9090  1.0
  Cd  Cd2  2  0.0196  0.7500  0.4245  1.0
]