data_[Pr12In2Te6P4]
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
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4615]
_cell_length_b [4.3281]
_cell_length_c [9.0631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6InTe3P2]
_chemical_formula_sum '[Pr12 In2 Te6 P4]'
_cell_volume [738.6971]
_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  0.0103  0.0000  0.2560  1.0
  Pr  Pr1  4  0.1683  0.5000  0.1103  1.0
  Pr  Pr2  4  0.1749  0.5000  0.5631  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1637  0.0000  0.8303  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1692  0.0000  0.3368  1.0
]