data_ZrZnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   138.72
_cell_angle_beta   134.88
_cell_angle_gamma   62.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnCo2
_chemical_formula_sum   'Zr1 Zn1 Co2'
_cell_volume   55.75
_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  Zr3  1  0.74  0.0  0.12  1.0
  Zn  Zn2  1  0.0  0.0  0.39  1.0
  Co  Co0  1  0.0  0.0  0.25  1.0
  Co  Co1  1  0.0  0.9  0.11  1.0

data_ZrZnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.79
_cell_length_c   4.94
_cell_angle_alpha   112.56
_cell_angle_beta   110.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnCo2
_chemical_formula_sum   'Zr1 Zn1 Co2'
_cell_volume   55.75
_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  0.12  0.38  1.0
  Zn  Zn1  1  0.0  0.39  0.39  1.0
  Co  Co2  1  0.0  0.25  0.25  1.0
  Co  Co3  1  0.1  0.21  0.21  1.0

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