data_[Cs2Pr2In2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.2608]
_cell_length_b [4.7480]
_cell_length_c [11.4997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrInTe3]
_chemical_formula_sum '[Cs2 Pr2 In2 Te6]'
_cell_volume [538.4883]
_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
[
  Cs  Cs0  2  0.2028  0.2500  0.2417  1.0
  Pr  Pr1  2  0.3409  0.7500  0.8753  1.0
  In  In2  2  0.0728  0.2500  0.6221  1.0
  Te  Te3  2  0.1266  0.2500  0.8842  1.0
  Te  Te4  2  0.2236  0.7500  0.5701  1.0
  Te  Te5  2  0.4610  0.7500  0.1591  1.0
]