data_[Na4Zr4Cu4Te8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9582]
_cell_length_b [14.5884]
_cell_length_c [10.3952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaZrCuTe2Se]
_chemical_formula_sum '[Na4 Zr4 Cu4 Te8 Se4]'
_cell_volume [600.2626]
_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
[
  Na  Na0  4  0.0000  0.2626  0.7500  1
  Zr  Zr1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4699  0.2500  1
  Te  Te3  8  0.0000  0.3579  0.0552  1
  Se  Se4  4  0.0000  0.0692  0.2500  1
]