data_[Ga5As3S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9310]
_cell_length_b [11.7484]
_cell_length_c [5.6578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ga5(AsS)3]
_chemical_formula_sum '[Ga5 As3 S3]'
_cell_volume [261.2917]
_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  2  0.0000  0.1548  0.9894  1.0
  Ga  Ga1  2  0.5000  0.3249  0.5143  1.0
  Ga  Ga2  1  0.0000  0.5000  0.0184  1.0
  As  As3  2  0.0000  0.3231  0.2556  1.0
  As  As4  1  0.5000  0.5000  0.7584  1.0
  S  S5  2  0.5000  0.1601  0.7439  1.0
  S  S6  1  0.0000  0.0000  0.2168  1.0
]