data_Na2CaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.15
_cell_angle_alpha   110.77
_cell_angle_beta   110.77
_cell_angle_gamma   37.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaZn
_chemical_formula_sum   'Na2 Ca1 Zn1'
_cell_volume   123.67
_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  0.09  0.0  0.11  1.0
  Na  Na2  1  0.42  0.0  0.33  1.0
  Ca  Ca0  1  0.88  0.0  0.79  1.0
  Zn  Zn3  1  0.15  0.0  0.33  1.0

data_Na2CaZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.98
_cell_length_c   6.15
_cell_angle_alpha   110.77
_cell_angle_beta   90.0
_cell_angle_gamma   108.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaZn
_chemical_formula_sum   'Na2 Ca1 Zn1'
_cell_volume   123.67
_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  0.0  0.58  0.67  1.0
  Na  Na1  1  0.0  0.91  0.89  1.0
  Ca  Ca2  1  0.0  0.12  0.21  1.0
  Zn  Zn3  1  0.0  0.85  0.67  1.0

Na Na Ca Zn