data_[Zr16As4P8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7403]
_cell_length_b [12.1166]
_cell_length_c [12.4302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr4AsP2H]
_chemical_formula_sum '[Zr16 As4 P8 H4]'
_cell_volume [563.3327]
_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
[
  Zr  Zr0  8  0.0000  0.2697  0.1200  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  Zr  Zr2  4  0.0000  0.4444  0.7500  1.0
  As  As3  4  0.0000  0.1094  0.7500  1.0
  P  P4  8  0.0000  0.3651  0.5620  1.0
  H  H5  4  0.0000  0.1585  0.2500  1.0
]