data_[Pr4In6Sn2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5362]
_cell_length_b [4.4865]
_cell_length_c [9.4456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2In3SnTe6]
_chemical_formula_sum '[Pr4 In6 Sn2 Te12]'
_cell_volume [839.2093]
_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
[
  Pr  Pr0  4  0.1659  0.0000  0.3327  1.0
  In  In1  4  0.1677  0.0000  0.8365  1.0
  In  In2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0041  0.0000  0.2507  1.0
  Te  Te5  4  0.1637  0.5000  0.0933  1.0
  Te  Te6  4  0.1698  0.5000  0.5764  1.0
]