data_NaCu2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   149.15
_cell_angle_beta   127.72
_cell_angle_gamma   61.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2As
_chemical_formula_sum   'Na1 Cu2 As1'
_cell_volume   67.08
_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  Na3  1  0.0  0.0  0.66  1.0
  Cu  Cu1  1  0.0  0.0  0.05  1.0
  Cu  Cu2  1  0.0  0.43  0.72  1.0
  As  As0  1  0.46  0.0  0.02  1.0

data_NaCu2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.85
_cell_length_c   5.51
_cell_angle_alpha   116.14
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2As
_chemical_formula_sum   'Na1 Cu2 As1'
_cell_volume   67.08
_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  0.34  0.34  0.34  1.0
  Cu  Cu1  1  0.28  0.7  0.7  1.0
  Cu  Cu2  1  0.95  0.95  0.95  1.0
  As  As3  1  0.45  0.98  0.45  1.0

Na Cu Cu As