data_[Ca6Tm3Mg36Cd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.6402]
_cell_length_b [10.6402]
_cell_length_c [14.4261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Tm(Mg4Cd)3]
_chemical_formula_sum '[Ca6 Tm3 Mg36 Cd9]'
_cell_volume [1414.4070]
_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
[
  Ca  Ca0  6  0.0000  0.0000  0.3688  1
  Tm  Tm1  3  0.0000  0.0000  0.0000  1
  Mg  Mg2  18  0.0018  0.5009  0.6974  1
  Mg  Mg3  18  0.0278  0.5139  0.8977  1
  Cd  Cd4  9  0.0000  0.5000  0.5000  1
]