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 [4.3844]
_cell_length_b [5.4881]
_cell_length_c [6.8611]
_cell_angle_alpha [81.4141]
_cell_angle_beta [73.1822]
_cell_angle_gamma [89.8175]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TePH]
_chemical_formula_sum '[Te2 P2 H2]'
_cell_volume [156.1227]
_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  0.3158  0.4349  0.2714  1.0
  Te  Te1  1  0.9932  0.1059  0.1024  1.0
  P  P2  1  0.8426  0.7202  0.3636  1.0
  P  P3  1  0.9146  0.8416  0.6432  1.0
  H  H4  1  0.6215  0.9670  0.6920  1.0
  H  H5  1  0.7697  0.6166  0.7712  1.0
]