data_[Pr28Te4P20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2204]
_cell_length_b [13.9505]
_cell_length_c [24.9866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr7TeP5]
_chemical_formula_sum '[Pr28 Te4 P20]'
_cell_volume [1471.1280]
_cell_formula_units_Z [4]
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  8  0.0000  0.1366  0.0345  1
  Pr  Pr1  8  0.0000  0.3253  0.6704  1
  Pr  Pr2  8  0.0000  0.4107  0.1027  1
  Pr  Pr3  4  0.0000  0.0286  0.7500  1
  Te  Te4  4  0.0000  0.2974  0.2500  1
  P  P5  8  0.0000  0.0439  0.1430  1
  P  P6  8  0.0000  0.2274  0.5724  1
  P  P7  4  0.0000  0.5000  0.0000  1
]