data_[Na2Cu2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7612]
_cell_length_b [8.6524]
_cell_length_c [9.5136]
_cell_angle_alpha [71.0192]
_cell_angle_beta [86.7416]
_cell_angle_gamma [85.8170]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCuS5]
_chemical_formula_sum '[Na2 Cu2 S10]'
_cell_volume [369.3926]
_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
[
  Na  Na0  2  0.3630  0.9087  0.2983  1
  Cu  Cu1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  1  0.0000  0.5000  0.5000  1
  S  S3  2  0.0138  0.7865  0.6538  1
  S  S4  2  0.1296  0.2468  0.5392  1
  S  S5  2  0.1884  0.3752  0.1647  1
  S  S6  2  0.2513  0.2058  0.8951  1
  S  S7  2  0.4640  0.2396  0.0690  1
]