data_[Ca2Pr2Ag2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9888]
_cell_length_b [4.3547]
_cell_length_c [9.9101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaPrAgTe3]
_chemical_formula_sum '[Ca2 Pr2 Ag2 Te6]'
_cell_volume [379.1371]
_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  0.3322  0.7500  0.8317  1.0
  Pr  Pr1  2  0.1839  0.2500  0.2442  1.0
  Ag  Ag2  2  0.0810  0.2500  0.5829  1.0
  Te  Te3  2  0.0836  0.2500  0.8707  1.0
  Te  Te4  2  0.2556  0.7500  0.4999  1.0
  Te  Te5  2  0.4116  0.7500  0.1581  1.0
]