data_ZrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   144.31
_cell_angle_beta   128.76
_cell_angle_gamma   64.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2
_chemical_formula_sum   'Zr2 Co4'
_cell_volume   88.75
_cell_formula_units_Z   2
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  0.78  0.0  0.85  1.0
  Zr  Zr5  1  0.0  0.52  0.09  1.0
  Co  Co0  1  0.0  0.27  0.0  1.0
  Co  Co1  1  0.0  0.0  0.06  1.0
  Co  Co2  1  0.0  0.0  0.81  1.0
  Co  Co3  1  0.0  0.77  0.0  1.0

data_ZrCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.04
_cell_length_c   5.82
_cell_angle_alpha   115.62
_cell_angle_beta   107.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2
_chemical_formula_sum   'Zr2 Co4'
_cell_volume   88.75
_cell_formula_units_Z   2
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  0.91  0.43  0.43  1.0
  Zr  Zr1  1  0.94  0.15  0.94  1.0
  Co  Co2  1  0.0  0.77  0.77  1.0
  Co  Co3  1  0.0  0.27  0.27  1.0
  Co  Co4  1  0.19  0.19  0.19  1.0
  Co  Co5  1  0.94  0.94  0.94  1.0

Zr Zr Co Co Co Co