data_[Na4Er2Sn6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9878]
_cell_length_b [12.2542]
_cell_length_c [7.0491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Er(SnS2)3]
_chemical_formula_sum '[Na4 Er2 Sn6 S12]'
_cell_volume [569.7554]
_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  0.3311  0.0000  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.1623  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2417  0.1516  0.2422  1.0
  S  S5  4  0.2296  0.0000  0.7445  1.0
]