data_[Te2P2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8046]
_cell_length_b [6.1073]
_cell_length_c [6.9664]
_cell_angle_alpha [69.9263]
_cell_angle_beta [88.7686]
_cell_angle_gamma [75.0382]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TePH]
_chemical_formula_sum '[Te2 P2 H2]'
_cell_volume [146.4794]
_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
[
  Te  Te0  1  0.1579  0.1838  0.4331  1
  Te  Te1  1  0.3651  0.6773  0.7112  1
  P  P2  1  0.1344  0.0108  0.1609  1
  P  P3  1  0.5355  0.2072  0.9942  1
  H  H4  1  0.1874  0.7576  0.9095  1
  H  H5  1  0.6092  0.0978  0.8398  1
]