data_[Ga1P1H2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [5.2927]
_cell_length_b [6.0809]
_cell_length_c [6.7589]
_cell_angle_alpha [91.7499]
_cell_angle_beta [107.9447]
_cell_angle_gamma [113.6468]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaP(HS2)2]
_chemical_formula_sum '[Ga1 P1 H2 S4]'
_cell_volume [186.5840]
_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
[
  Ga  Ga0  1  0.5044  0.9463  0.0417  1.0
  P  P1  1  0.2965  0.3309  0.2648  1.0
  H  H2  1  0.2328  0.7339  0.3574  1.0
  H  H3  1  0.7606  0.9227  0.7660  1.0
  S  S4  1  0.1465  0.6177  0.1540  1.0
  S  S5  1  0.2718  0.1992  0.9636  1.0
  S  S6  1  0.4738  0.7710  0.7322  1.0
  S  S7  1  0.9264  0.0913  0.3332  1.0
]