data_[Cd4P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2683]
_cell_length_b [4.2069]
_cell_length_c [7.9391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdPH]
_chemical_formula_sum '[Cd4 P4 H4]'
_cell_volume [229.8739]
_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
[
  Cd  Cd0  4  0.1109  0.8839  0.3379  1.0
  P  P1  2  0.0000  0.3597  0.5000  1.0
  P  P2  2  0.0000  0.7315  0.0000  1.0
  H  H3  4  0.1479  0.5052  0.0042  1.0
]