data_[Te4P4H4]
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 [Cm]
_cell_length_a [17.1829]
_cell_length_b [3.2287]
_cell_length_c [5.0476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TePH]
_chemical_formula_sum '[Te4 P4 H4]'
_cell_volume [279.2705]
_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
[
  Te  Te0  2  0.1712  0.5000  0.1659  1
  Te  Te1  2  0.3457  0.0000  0.6913  1
  P  P2  2  0.0272  0.0000  0.5847  1
  P  P3  2  0.1174  0.5000  0.6378  1
  H  H4  2  0.0134  0.0000  0.8611  1
  H  H5  2  0.3822  0.0000  0.0104  1
]