data_[Sr20As8P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Cmc2_1]
_cell_length_a [4.4846]
_cell_length_b [18.2213]
_cell_length_c [12.8801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr5As2PH]
_chemical_formula_sum '[Sr20 As8 P4 H4]'
_cell_volume [1052.5017]
_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
[
  Sr  Sr0  4  0.0000  0.0352  0.0522  1.0
  Sr  Sr1  4  0.0000  0.2967  0.3450  1.0
  Sr  Sr2  4  0.0000  0.2982  0.6568  1.0
  Sr  Sr3  4  0.0000  0.3592  0.0038  1.0
  Sr  Sr4  4  0.0000  0.4921  0.2918  1.0
  As  As5  4  0.0000  0.1147  0.3017  1.0
  As  As6  4  0.0000  0.1168  0.6861  1.0
  P  P7  4  0.0000  0.1944  0.9987  1.0
  H  H8  4  0.0000  0.4949  0.4877  1.0
]