data_[Sr9Tl3Cd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.1350]
_cell_length_b [6.1350]
_cell_length_c [31.0745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3TlCd8]
_chemical_formula_sum '[Sr9 Tl3 Cd24]'
_cell_volume [1012.8791]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.3766  1.0
  Sr  Sr1  3  0.0000  0.0000  0.5048  1.0
  Sr  Sr2  3  0.0000  0.0000  0.9937  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8721  1.0
  Cd  Cd4  9  0.0015  0.5008  0.9387  1.0
  Cd  Cd5  9  0.1675  0.3350  0.7705  1.0
  Cd  Cd6  3  0.0000  0.0000  0.1882  1.0
  Cd  Cd7  3  0.0000  0.0000  0.6873  1.0
]