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 [C2]
_cell_length_a [6.7612]
_cell_length_b [3.9144]
_cell_length_c [7.1492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ZnPH]
_chemical_formula_sum '[Zn4 P4 H4]'
_cell_volume [178.1671]
_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  0.1129  0.4871  0.8445  1.0
  P  P1  2  0.0000  0.0137  0.0000  1.0
  P  P2  2  0.0000  0.6345  0.5000  1.0
  H  H3  4  0.1567  0.8833  0.5089  1.0
]