data_[Na2In12Cu7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.1583]
_cell_length_b [11.1583]
_cell_length_c [4.2366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Na2In12Cu7]
_chemical_formula_sum '[Na2 In12 Cu7]'
_cell_volume [456.8246]
_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  2  0.3333  0.6667  0.2521  1
  In  In1  6  0.0677  0.4483  0.7498  1
  In  In2  6  0.1178  0.2608  0.2492  1
  Cu  Cu3  6  0.1180  0.7094  0.7533  1
  Cu  Cu4  1  0.0000  0.0000  0.5000  1
]