# generated using pymatgen
data_Na5Sc3(Cu4As3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.01653713
_cell_length_b   13.01653714
_cell_length_c   4.00200261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000244
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5Sc3(Cu4As3)4
_chemical_formula_sum   'Na5 Sc3 Cu16 As12'
_cell_volume   587.21739501
_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  0.18426389  0.18426389  0.50000000  1.0
  Na  Na1  1  0.81573611  0.00000000  0.50000000  1.0
  Na  Na2  1  0.00000000  0.81573611  0.50000000  1.0
  Na  Na3  1  0.33333300  0.66666700  0.00000000  1.0
  Na  Na4  1  0.66666700  0.33333300  0.00000000  1.0
  Sc  Sc5  1  0.56664536  0.56664536  0.00000000  1.0
  Sc  Sc6  1  0.43335464  0.00000000  0.00000000  1.0
  Sc  Sc7  1  0.00000000  0.43335464  0.00000000  1.0
  Cu  Cu8  1  0.72446166  0.72446166  0.50000000  1.0
  Cu  Cu9  1  0.27553834  0.00000000  0.50000000  1.0
  Cu  Cu10  1  0.00000000  0.27553834  0.50000000  1.0
  Cu  Cu11  1  0.18479389  0.37629030  0.00000000  1.0
  Cu  Cu12  1  0.62370970  0.80850259  0.00000000  1.0
  Cu  Cu13  1  0.19149741  0.81520611  0.00000000  1.0
  Cu  Cu14  1  0.80850259  0.62370970  0.00000000  1.0
  Cu  Cu15  1  0.81520611  0.19149741  0.00000000  1.0
  Cu  Cu16  1  0.37629030  0.18479389  0.00000000  1.0
  Cu  Cu17  1  0.35953308  0.47946491  0.50000000  1.0
  Cu  Cu18  1  0.52053509  0.88006916  0.50000000  1.0
  Cu  Cu19  1  0.11993084  0.64046692  0.50000000  1.0
  Cu  Cu20  1  0.88006916  0.52053509  0.50000000  1.0
  Cu  Cu21  1  0.64046692  0.11993084  0.50000000  1.0
  Cu  Cu22  1  0.47946491  0.35953308  0.50000000  1.0
  Cu  Cu23  1  0.00000000  0.00000000  0.00000000  1.0
  As  As24  1  0.82241544  0.82241544  0.00000000  1.0
  As  As25  1  0.17758456  0.00000000  0.00000000  1.0
  As  As26  1  0.00000000  0.17758456  0.00000000  1.0
  As  As27  1  0.16919918  0.48199746  0.50000000  1.0
  As  As28  1  0.51800254  0.68720072  0.50000000  1.0
  As  As29  1  0.31279928  0.83080082  0.50000000  1.0
  As  As30  1  0.68720072  0.51800254  0.50000000  1.0
  As  As31  1  0.83080082  0.31279928  0.50000000  1.0
  As  As32  1  0.48199746  0.16919918  0.50000000  1.0
  As  As33  1  0.35913971  0.35913971  0.00000000  1.0
  As  As34  1  0.64086029  0.00000000  0.00000000  1.0
  As  As35  1  0.00000000  0.64086029  0.00000000  1.0