data_[Y3Cd51Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.0160]
_cell_length_b [10.0160]
_cell_length_c [15.5673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [YCd17Hg]
_chemical_formula_sum '[Y3 Cd51 Hg3]'
_cell_volume [1352.4782]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6751  1
  Cd  Cd1  18  0.0002  0.3071  0.9991  1
  Cd  Cd2  9  0.1824  0.3648  0.4757  1
  Cd  Cd3  9  0.1881  0.3763  0.8405  1
  Cd  Cd4  9  0.2023  0.4045  0.1836  1
  Cd  Cd5  3  0.0000  0.0000  0.0802  1
  Cd  Cd6  3  0.0000  0.0000  0.8948  1
  Hg  Hg7  3  0.0000  0.0000  0.3564  1
]