data_Zr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   9.13
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Co
_chemical_formula_sum   'Zr12 Co4'
_cell_volume   323.46
_cell_formula_units_Z   4
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  Zr4  1  0.21  0.28  0.85  1.0
  Zr  Zr5  1  0.15  0.56  0.93  1.0
  Zr  Zr6  1  0.15  0.0  0.93  1.0
  Zr  Zr7  1  0.94  0.12  0.8  1.0
  Zr  Zr8  1  0.94  0.57  0.8  1.0
  Zr  Zr9  1  0.87  0.85  0.98  1.0
  Zr  Zr10  1  0.3  0.28  0.76  1.0
  Zr  Zr11  1  0.24  0.56  0.94  1.0
  Zr  Zr12  1  0.24  0.0  0.94  1.0
  Zr  Zr13  1  0.02  0.12  0.81  1.0
  Zr  Zr14  1  0.02  0.57  0.81  1.0
  Zr  Zr15  1  0.96  0.85  0.89  1.0
  Co  Co0  1  0.7  0.85  0.34  1.0
  Co  Co1  1  0.39  0.28  0.47  1.0
  Co  Co2  1  0.78  0.85  0.27  1.0
  Co  Co3  1  0.48  0.28  0.4  1.0

data_Zr3Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.74
_cell_length_b   6.18
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr3Co
_chemical_formula_sum   'Zr12 Co4'
_cell_volume   323.46
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.39  0.21  0.22  1.0
  Zr  Zr1  2  0.43  0.85  0.06  1.0
  Zr  Zr2  2  0.43  0.85  0.5  1.0
  Zr  Zr3  2  0.44  0.94  0.06  1.0
  Zr  Zr4  2  0.44  0.94  0.5  1.0
  Zr  Zr5  2  0.48  0.13  0.22  1.0
  Co  Co6  2  0.03  0.39  0.22  1.0
  Co  Co7  2  0.1  0.3  0.22  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Co Co Co Co