data_NaZr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.08
_cell_angle_alpha   97.21
_cell_angle_beta   97.21
_cell_angle_gamma   52.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Co
_chemical_formula_sum   'Na1 Zr2 Co1'
_cell_volume   96.86
_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  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.7  0.0  0.06  1.0
  Zr  Zr3  1  0.63  0.0  0.93  1.0
  Co  Co0  1  0.67  0.0  0.5  1.0

data_NaZr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.68
_cell_length_c   9.08
_cell_angle_alpha   97.21
_cell_angle_beta   90.0
_cell_angle_gamma   116.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Co
_chemical_formula_sum   'Na1 Zr2 Co1'
_cell_volume   96.86
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.3  0.94  1.0
  Zr  Zr2  1  0.0  0.37  0.07  1.0
  Co  Co3  1  0.0  0.33  0.5  1.0

Na Zr Zr Co
Na Zr Zr Co 0 2 - o - 0 1 - o o 1 2 o o - 1 3 o o o 2 3 o o o 3 3 o + o 3 3 + - o 3 3 + o o 