data_ZrZn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   18.46
_cell_angle_beta   18.46
_cell_angle_gamma   18.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Co
_chemical_formula_sum   'Zr1 Zn2 Co1'
_cell_volume   63.5
_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  0.0  0.0  0.24  1.0
  Zn  Zn1  1  0.0  0.0  0.57  1.0
  Zn  Zn2  1  0.0  0.0  0.92  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_ZrZn2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   100.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrZn2Co
_chemical_formula_sum   'Zr2 Zn4 Co2'
_cell_volume   127.01
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.76  1.0
  Zn  Zn1  2  0.0  0.0  0.08  1.0
  Zn  Zn2  2  0.0  0.0  0.43  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

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