data_[Ga4Si4H36C16S4N4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [12.7415]
_cell_length_b [6.5903]
_cell_length_c [14.8178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [GaSiH9C4SNCl3]
_chemical_formula_sum '[Ga4 Si4 H36 C16 S4 N4 Cl12]'
_cell_volume [1244.2671]
_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
[
  Ga  Ga0  4  0.1613  0.5090  0.6338  1
  Si  Si1  4  0.0288  0.0054  0.3539  1
  H  H2  4  0.0017  0.6400  0.3401  1
  H  H3  4  0.0058  0.0008  0.1906  1
  H  H4  4  0.0370  0.7030  0.4532  1
  H  H5  4  0.0591  0.2385  0.2256  1
  H  H6  4  0.1053  0.7304  0.8834  1
  H  H7  4  0.1146  0.9304  0.9641  1
  H  H8  4  0.1354  0.6928  0.3670  1
  H  H9  4  0.1415  0.0202  0.2182  1
  H  H10  4  0.1623  0.9659  0.8515  1
  C  C11  4  0.0536  0.7348  0.3819  1
  C  C12  4  0.0625  0.0736  0.2362  1
  C  C13  4  0.1002  0.8956  0.8926  1
  C  C14  4  0.1833  0.2306  0.4663  1
  S  S15  4  0.2264  0.3465  0.0237  1
  N  N16  4  0.1218  0.1431  0.4216  1
  Cl  Cl17  4  0.0009  0.4163  0.6043  1
  Cl  Cl18  4  0.1951  0.8291  0.6154  1
  Cl  Cl19  4  0.2125  0.4013  0.7653  1
]