data_[Nb4Cu2Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4449]
_cell_length_b [11.5074]
_cell_length_c [6.5737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2Cu(AgSe3)2]
_chemical_formula_sum '[Nb4 Cu2 Ag4 Se12]'
_cell_volume [483.9356]
_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
[
  Nb  Nb0  4  0.0000  0.3666  0.5000  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.0000  0.3300  0.0000  1
  Se  Se3  8  0.1780  0.1705  0.7031  1
  Se  Se4  4  0.2066  0.5000  0.7617  1
]