data_[Ca6La2Pr4Te12]
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
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7389]
_cell_length_b [13.3817]
_cell_length_c [8.0203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3La(PrTe3)2]
_chemical_formula_sum '[Ca6 La2 Pr4 Te12]'
_cell_volume [786.8707]
_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  0.1663  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  La  La2  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr3  4  0.0000  0.3347  0.0000  1.0
  Te  Te4  8  0.2469  0.3329  0.7417  1.0
  Te  Te5  4  0.2477  0.0000  0.7413  1.0
]