data_[Pr8Te8H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0843]
_cell_length_b [11.3100]
_cell_length_c [11.9546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2Te2H]
_chemical_formula_sum '[Pr8 Te8 H4]'
_cell_volume [552.2314]
_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  4  0.0000  0.0496  0.8852  1
  Pr  Pr1  4  0.0000  0.2271  0.1338  1
  Te  Te2  4  0.0000  0.0611  0.6255  1
  Te  Te3  4  0.0000  0.3290  0.8417  1
  H  H4  4  0.0000  0.3633  0.4991  1
]