data_[Tm16Cd4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0818]
_cell_length_b [5.2178]
_cell_length_c [8.3733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Cd2In]
_chemical_formula_sum '[Tm16 Cd4 In2]'
_cell_volume [606.7117]
_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
[
  Tm  Tm0  4  0.0655  0.0000  0.7210  1
  Tm  Tm1  4  0.0938  0.5000  0.4564  1
  Tm  Tm2  4  0.1394  0.0000  0.1860  1
  Tm  Tm3  4  0.1826  0.5000  0.9502  1
  Cd  Cd4  4  0.2242  0.0000  0.6154  1
  In  In5  2  0.0000  0.5000  0.0000  1
]