data_[Ga2Cu4As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8107]
_cell_length_b [6.5288]
_cell_length_c [6.2705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GaCu2AsS4]
_chemical_formula_sum '[Ga2 Cu4 As2 S8]'
_cell_volume [319.7616]
_cell_formula_units_Z [2]
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  0.1740  0.9991  1.0
  Cu  Cu1  4  0.2495  0.6762  0.0039  1.0
  As  As2  2  0.0000  0.8356  0.4951  1.0
  S  S3  4  0.2317  0.3475  0.8656  1.0
  S  S4  2  0.0000  0.1876  0.3709  1.0
  S  S5  2  0.0000  0.8371  0.8958  1.0
]