data_[Zn4P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7371]
_cell_length_b [6.3544]
_cell_length_c [6.8988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnPH]
_chemical_formula_sum '[Zn4 P4 H4]'
_cell_volume [243.9227]
_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
[
  Zn  Zn0  4  0.3900  0.1987  0.6208  1.0
  P  P1  4  0.2798  0.0380  0.3054  1.0
  H  H2  4  0.0416  0.5144  0.7072  1.0
]