data_[Ca6Ce4Tm2Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8073]
_cell_length_b [13.5276]
_cell_length_c [7.7269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Ce2TmSb6]
_chemical_formula_sum '[Ca6 Ce4 Tm2 Sb12]'
_cell_volume [768.1223]
_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  4  0.0000  0.1679  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3338  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  8  0.2438  0.1654  0.2361  1.0
  Sb  Sb5  4  0.2489  0.5000  0.2381  1.0
]