data_[In1P1H2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8199]
_cell_length_b [6.4003]
_cell_length_c [6.9437]
_cell_angle_alpha [76.9284]
_cell_angle_beta [78.8047]
_cell_angle_gamma [69.9041]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InP(HS2)2]
_chemical_formula_sum '[In1 P1 H2 S4]'
_cell_volume [194.3614]
_cell_formula_units_Z [1]
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
[
  In  In0  1  0.3961  0.0694  0.9738  1.0
  P  P1  1  0.7539  0.4711  0.7447  1.0
  H  H2  1  0.3428  0.6608  0.2189  1.0
  H  H3  1  0.9154  0.8501  0.6295  1.0
  S  S4  1  0.1710  0.2453  0.6575  1.0
  S  S5  1  0.2864  0.8503  0.2963  1.0
  S  S6  1  0.6421  0.3315  0.0433  1.0
  S  S7  1  0.8794  0.7474  0.8231  1.0
]