data_[Ca3La3Tm6In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3770]
_cell_length_b [5.3770]
_cell_length_c [26.8723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaLa(TmIn2)2]
_chemical_formula_sum '[Ca3 La3 Tm6 In12]'
_cell_volume [672.8472]
_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  3  -0.0000  -0.0000  0.5000  1.0
  La  La1  3  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  6  0.0000  0.0000  0.2484  1.0
  In  In3  6  0.0000  0.0000  0.1267  1.0
  In  In4  6  0.0000  0.0000  0.3766  1.0
]