data_[Sr2Ca6Pr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  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 [19.8817]
_cell_length_b [4.5162]
_cell_length_c [9.1972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCa3(PrTe3)2]
_chemical_formula_sum '[Sr2 Ca6 Pr4 Te12]'
_cell_volume [802.3061]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  4  0.1657  0.0000  0.8353  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  4  0.1701  0.0000  0.3423  1.0
  Te  Te4  4  0.0009  0.0000  0.2594  1.0
  Te  Te5  4  0.1641  0.5000  0.5905  1.0
  Te  Te6  4  0.1705  0.5000  0.0855  1.0
]