data_Na2ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.64
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   94.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrCu
_chemical_formula_sum   'Na2 Zr1 Cu1'
_cell_volume   92.91
_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  Na1  1  0.47  0.82  0.75  1.0
  Na  Na2  1  0.34  0.0  0.13  1.0
  Zr  Zr3  1  0.69  0.82  0.55  1.0
  Cu  Cu0  1  0.23  0.0  0.81  1.0

data_Na2ZrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.64
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   94.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrCu
_chemical_formula_sum   'Na2 Zr1 Cu1'
_cell_volume   92.91
_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  0.0  0.13  1.0
  Na  Na1  1  0.47  0.82  0.75  1.0
  Zr  Zr2  1  0.69  0.82  0.55  1.0
  Cu  Cu3  1  0.23  0.0  0.81  1.0

Na Na Zr Cu