data_[Ca2Tm2Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9945]
_cell_length_b [7.0289]
_cell_length_c [11.0925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaTmCd6]
_chemical_formula_sum '[Ca2 Tm2 Cd12]'
_cell_volume [389.4112]
_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
[
  Ca  Ca0  2  0.5000  0.0000  0.6075  1.0
  Tm  Tm1  2  0.0000  0.0000  0.8942  1.0
  Cd  Cd2  4  0.0000  0.2209  0.1601  1.0
  Cd  Cd3  4  0.5000  0.2254  0.3421  1.0
  Cd  Cd4  2  0.0000  0.0000  0.4195  1.0
  Cd  Cd5  2  0.5000  0.0000  0.0745  1.0
]