# generated using pymatgen
data_NaCa3(CuAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21911040
_cell_length_b   4.10644996
_cell_length_c   7.09523943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.12040614
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa3(CuAs)4
_chemical_formula_sum   'Na1 Ca3 Cu4 As4'
_cell_volume   239.47349099
_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  0.99987615  0.25000100  0.24887474  1.0
  Ca  Ca1  1  0.49997676  0.25000100  0.25060517  1.0
  Ca  Ca2  1  0.49998966  0.74999900  0.74951883  1.0
  Ca  Ca3  1  0.00006161  0.74999900  0.75075755  1.0
  Cu  Cu4  1  0.75260953  0.74999900  0.08501322  1.0
  Cu  Cu5  1  0.24640228  0.74999900  0.41496591  1.0
  Cu  Cu6  1  0.74727585  0.25000100  0.58222291  1.0
  Cu  Cu7  1  0.25343599  0.25000100  0.91787396  1.0
  As  As8  1  0.25759967  0.74999900  0.08145773  1.0
  As  As9  1  0.74341456  0.74999900  0.41861277  1.0
  As  As10  1  0.24902891  0.25000100  0.58335563  1.0
  As  As11  1  0.75032904  0.25000100  0.91674259  1.0