data_[Cu2Ge6As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1849]
_cell_length_b [6.9006]
_cell_length_c [6.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CuGe3As4]
_chemical_formula_sum '[Cu2 Ge6 As8]'
_cell_volume [377.2883]
_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
[
  Cu  Cu0  2  0.0000  0.1666  0.9986  1.0
  Ge  Ge1  4  0.2483  0.3335  0.5022  1.0
  Ge  Ge2  2  0.0000  0.8231  0.5009  1.0
  As  As3  4  0.2386  0.3236  0.1231  1.0
  As  As4  2  0.0000  0.1623  0.6417  1.0
  As  As5  2  0.0000  0.8423  0.1234  1.0
]