data_[Sr3Th3Cd51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.1629]
_cell_length_b [10.1629]
_cell_length_c [15.0933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrThCd17]
_chemical_formula_sum '[Sr3 Th3 Cd51]'
_cell_volume [1350.0592]
_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  0.6642  1
  Th  Th1  3  0.0000  0.0000  0.3300  1
  Cd  Cd2  18  0.0018  0.2997  0.9994  1
  Cd  Cd3  9  0.0129  0.5064  0.8548  1
  Cd  Cd4  9  0.0213  0.5107  0.4955  1
  Cd  Cd5  9  0.0423  0.5212  0.1492  1
  Cd  Cd6  3  0.0000  0.0000  0.1044  1
  Cd  Cd7  3  0.0000  0.0000  0.9063  1
]