data_[Ga8Cu4As4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.0561]
_cell_length_b [6.9533]
_cell_length_c [6.6719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ga2CuAsSe2]
_chemical_formula_sum '[Ga8 Cu4 As4 Se8]'
_cell_volume [559.3051]
_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
[
  Ga  Ga0  8  0.1549  0.3228  0.3041  1.0
  Cu  Cu1  4  0.0000  0.1711  0.8193  1.0
  As  As2  4  0.0000  0.1432  0.1729  1.0
  Se  Se3  8  0.1664  0.3337  0.6864  1.0
]