data_[Sn4As4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1046]
_cell_length_b [4.1050]
_cell_length_c [11.0235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnAsH]
_chemical_formula_sum '[Sn4 As4 H4]'
_cell_volume [321.1875]
_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
[
  Sn  Sn0  4  0.0086  0.0000  0.1306  1.0
  As  As1  4  0.1827  0.5000  0.2431  1.0
  H  H2  4  0.0487  0.0000  0.5160  1.0
]