data_[Ca2Tb6Ce4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1335]
_cell_length_b [4.1701]
_cell_length_c [8.3477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb3(CeAs3)2]
_chemical_formula_sum '[Ca2 Tb6 Ce4 As12]'
_cell_volume [613.9755]
_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  0.0000  0.5000  0.0000  1.0
  Tb  Tb1  4  0.1649  0.0000  0.8339  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce3  4  0.1643  0.0000  0.3290  1.0
  As  As4  4  0.0008  0.0000  0.2576  1.0
  As  As5  4  0.1674  0.5000  0.5831  1.0
  As  As6  4  0.1694  0.5000  0.0843  1.0
]