data_[Na1Er1Cu10]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0606]
_cell_length_b [5.0251]
_cell_length_c [8.6993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [NaErCu10]
_chemical_formula_sum '[Na1 Er1 Cu10]'
_cell_volume [177.5102]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.5000  0.2444  0.2445  1
  Cu  Cu3  2  0.0000  0.0000  0.3341  1
  Cu  Cu4  2  0.0000  0.5000  0.1686  1
  Cu  Cu5  1  0.5000  0.0000  0.5000  1
  Cu  Cu6  1  0.5000  0.5000  0.0000  1
]