data_[Ca6La4Pr2Te12]
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 [19.9480]
_cell_length_b [4.4943]
_cell_length_c [9.1464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3La2PrTe6]
_chemical_formula_sum '[Ca6 La4 Pr2 Te12]'
_cell_volume [792.6699]
_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  0.1664  0.0000  0.8325  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.1637  0.0000  0.3271  1.0
  Pr  Pr3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0032  0.0000  0.7460  1.0
  Te  Te5  4  0.1658  0.5000  0.5865  1.0
  Te  Te6  4  0.1683  0.5000  0.0753  1.0
]