data_[Pr1In2Sn1Te4]
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 [P2/m]
_cell_length_a [7.9606]
_cell_length_b [4.4950]
_cell_length_c [8.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrIn2SnTe4]
_chemical_formula_sum '[Pr1 In2 Sn1 Te4]'
_cell_volume [273.1833]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn3  1  0.0000  0.5000  0.5000  1.0
  Te  Te4  2  0.2532  0.0000  0.7440  1.0
  Te  Te5  2  0.2546  0.5000  0.2597  1.0
]