data_[Cs4P4H4]
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 [C2]
_cell_length_a [9.7603]
_cell_length_b [7.0595]
_cell_length_c [6.7284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsPH]
_chemical_formula_sum '[Cs4 P4 H4]'
_cell_volume [362.6036]
_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
[
  Cs  Cs0  2  0.0000  0.2155  0.0000  1.0
  Cs  Cs1  2  0.0000  0.8406  0.5000  1.0
  P  P2  4  0.1432  0.7008  0.1102  1.0
  H  H3  4  0.2017  0.8488  0.3108  1.0
]