data_[Ca6La2Ce4Te12]
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
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8361]
_cell_length_b [4.4849]
_cell_length_c [9.1214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3La(CeTe3)2]
_chemical_formula_sum '[Ca6 La2 Ce4 Te12]'
_cell_volume [785.2945]
_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  0.1659  0.0000  0.8334  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  La  La2  2  0.0000  0.5000  0.0000  1
  Ce  Ce3  4  0.1678  0.0000  0.3353  1
  Te  Te4  4  0.0005  0.0000  0.7436  1
  Te  Te5  4  0.1650  0.5000  0.5869  1
  Te  Te6  4  0.1691  0.5000  0.0814  1
]