data_Zr(AlCo3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(AlCo3)2
_chemical_formula_sum   'Zr1 Al2 Co6'
_cell_volume   114.57
_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
  Zr  Zr8  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.52  0.04  0.33  1.0
  Al  Al1  1  0.0  0.07  0.33  1.0
  Co  Co2  1  0.7  0.24  0.0  1.0
  Co  Co3  1  0.23  0.86  0.0  1.0
  Co  Co4  1  0.59  0.0  0.0  1.0
  Co  Co5  1  0.61  0.14  0.33  1.0
  Co  Co6  1  0.14  0.97  0.33  1.0
  Co  Co7  1  0.78  0.0  0.33  1.0

data_Zr(AlCo3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(AlCo3)2
_chemical_formula_sum   'Zr1 Al2 Co6'
_cell_volume   114.57
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.33  0.0  0.07  1.0
  Al  Al2  1  0.33  0.52  0.04  1.0
  Co  Co3  1  0.0  0.23  0.86  1.0
  Co  Co4  1  0.0  0.59  0.0  1.0
  Co  Co5  1  0.0  0.7  0.24  1.0
  Co  Co6  1  0.33  0.14  0.97  1.0
  Co  Co7  1  0.33  0.61  0.14  1.0
  Co  Co8  1  0.33  0.78  0.0  1.0

Zr Al Al Co Co Co Co Co Co