data_[Na6Zr4Co2S12]
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
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3897]
_cell_length_b [11.0672]
_cell_length_c [7.0256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Zr2CoS6]
_chemical_formula_sum '[Na6 Zr4 Co2 S12]'
_cell_volume [473.4416]
_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  4  0.0000  0.1672  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Zr  Zr2  4  0.0000  0.3334  0.0000  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2363  0.1642  0.2163  1
  S  S5  4  0.2436  0.5000  0.2167  1
]