data_NaZrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.81
_cell_length_c   3.15
_cell_angle_alpha   77.19
_cell_angle_beta   76.13
_cell_angle_gamma   26.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrCo
_chemical_formula_sum   'Na1 Zr1 Co1'
_cell_volume   64.05
_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  0.18  0.27  0.61  1.0
  Zr  Zr2  1  0.18  0.27  0.01  1.0
  Co  Co0  1  0.18  0.27  0.3  1.0

data_NaZrCo
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.15
_cell_length_b   12.91
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   NaZrCo
_chemical_formula_sum   'Na2 Zr2 Co2'
_cell_volume   128.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.79  1.0
  Zr  Zr1  2  0.0  0.5  0.19  1.0
  Co  Co2  2  0.0  0.5  0.48  1.0

Na Zr Co
Na Zr Co 0 2 o o o 1 2 o o o 