data_[Cs2P2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1738]
_cell_length_b [5.6889]
_cell_length_c [6.7237]
_cell_angle_alpha [81.6941]
_cell_angle_beta [67.9132]
_cell_angle_gamma [85.4259]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsPH]
_chemical_formula_sum '[Cs2 P2 H2]'
_cell_volume [181.3839]
_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
[
  Cs  Cs0  1  0.6173  0.9127  0.3396  1.0
  Cs  Cs1  1  0.9231  0.3580  0.8171  1.0
  P  P2  1  0.2331  0.5004  0.2291  1.0
  P  P3  1  0.3157  0.7778  0.9506  1.0
  H  H4  1  0.4313  0.6355  0.7710  1.0
  H  H5  1  0.9538  0.4214  0.2689  1.0
]