data_[Sn2P2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0917]
_cell_length_b [5.1293]
_cell_length_c [5.1998]
_cell_angle_alpha [99.3084]
_cell_angle_beta [104.1267]
_cell_angle_gamma [99.3896]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnPH]
_chemical_formula_sum '[Sn2 P2 H2]'
_cell_volume [127.0152]
_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
[
  Sn  Sn0  2  0.2681  0.9990  0.2337  1.0
  P  P1  2  0.0764  0.3307  0.5754  1.0
  H  H2  2  0.3000  0.4935  0.7960  1.0
]