data_MgZnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnCo2
_chemical_formula_sum   'Mg1 Zn1 Co2'
_cell_volume   52.44
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.62  0.0  0.0  1.0
  Co  Co0  1  0.31  0.11  0.33  1.0
  Co  Co1  1  0.31  0.89  0.33  1.0

data_MgZnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   110.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnCo2
_chemical_formula_sum   'Mg1 Zn1 Co2'
_cell_volume   52.44
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.62  0.0  1.0
  Co  Co2  1  0.33  0.31  0.89  1.0
  Co  Co3  1  0.33  0.31  0.11  1.0

Mg Zn Co Co
Mg Zn Co Co 0 1 - o o 0 3 o - o 0 2 o o o 1 3 o - o 1 2 o o o 2 3 o - o 