data_Mg2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   17.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Co
_chemical_formula_sum   'Mg16 Co8'
_cell_volume   444.87
_cell_formula_units_Z   8
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  Mg8  1  0.0  0.15  0.8  1.0
  Mg  Mg9  1  0.73  0.58  0.43  1.0
  Mg  Mg10  1  0.73  0.58  0.19  1.0
  Mg  Mg11  1  0.0  0.15  0.04  1.0
  Mg  Mg12  1  0.37  0.36  0.61  1.0
  Mg  Mg13  1  0.73  0.0  0.61  1.0
  Mg  Mg14  1  0.63  0.36  0.61  1.0
  Mg  Mg15  1  0.37  0.36  0.0  1.0
  Mg  Mg16  1  0.73  0.0  0.0  1.0
  Mg  Mg17  1  0.63  0.36  0.0  1.0
  Mg  Mg18  1  0.57  0.98  0.92  1.0
  Mg  Mg19  1  0.0  0.5  0.92  1.0
  Mg  Mg20  1  0.43  0.98  0.92  1.0
  Mg  Mg21  1  0.16  0.75  0.31  1.0
  Mg  Mg22  1  0.73  0.23  0.31  1.0
  Mg  Mg23  1  0.3  0.75  0.31  1.0
  Co  Co0  1  0.0  0.0  0.3  1.0
  Co  Co1  1  0.0  0.0  0.92  1.0
  Co  Co2  1  0.0  0.0  0.69  1.0
  Co  Co3  1  0.0  0.0  0.54  1.0
  Co  Co4  1  0.0  0.15  0.46  1.0
  Co  Co5  1  0.73  0.58  0.77  1.0
  Co  Co6  1  0.73  0.58  0.07  1.0
  Co  Co7  1  0.0  0.15  0.15  1.0

data_Mg2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   17.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Co
_chemical_formula_sum   'Mg16 Co8'
_cell_volume   444.87
_cell_formula_units_Z   8
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  0.5  0.92  1.0
  Mg  Mg1  1  -0.0  0.15  0.04  1.0
  Mg  Mg2  1  -0.0  0.15  0.8  1.0
  Mg  Mg3  1  0.16  0.75  0.31  1.0
  Mg  Mg4  1  0.3  0.75  0.31  1.0
  Mg  Mg5  1  0.37  0.36  -0.0  1.0
  Mg  Mg6  1  0.37  0.36  0.61  1.0
  Mg  Mg7  1  0.43  0.98  0.92  1.0
  Mg  Mg8  1  0.57  0.98  0.92  1.0
  Mg  Mg9  1  0.63  0.36  -0.0  1.0
  Mg  Mg10  1  0.63  0.36  0.61  1.0
  Mg  Mg11  1  0.73  0.58  0.19  1.0
  Mg  Mg12  1  0.73  0.58  0.43  1.0
  Mg  Mg13  1  0.73  0.0  -0.0  1.0
  Mg  Mg14  1  0.73  0.0  0.61  1.0
  Mg  Mg15  1  0.73  0.23  0.31  1.0
  Co  Co16  1  -0.0  0.15  0.15  1.0
  Co  Co17  1  -0.0  0.15  0.46  1.0
  Co  Co18  1  0.0  0.0  0.3  1.0
  Co  Co19  1  0.0  0.0  0.54  1.0
  Co  Co20  1  0.0  0.0  0.69  1.0
  Co  Co21  1  0.0  0.0  0.92  1.0
  Co  Co22  1  0.73  0.58  0.07  1.0
  Co  Co23  1  0.73  0.58  0.77  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Co Co Co Co Co Co Co Co
Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Co Co Co Co Co Co Co Co 0 18 o o o 0 17 o o o 0 11 o o o 0 21 - - o 1 20 + + o 1 20 + o o 1 14 o o o 1 6 o o o 1 16 + + o 1 13 + o o 1 19 + + o 2 22 o o o 2 14 o o o 3 8 - o o 3 11 o o - 3 17 o o - 3 23 o o o 4 6 o o o 4 18 o o o 4 21 o o o 5 6 o o o 5 19 + o o 5 18 + o o 6 21 o o o 7 9 o o o 7 11 o o - 7 17 o o - 8 10 o - - 8 11 + o - 8 17 + o - 9 22 o o o 9 11 + o - 10 12 o o o 10 11 + + o 10 11 o o o 10 17 + + o 11 12 - - o 11 12 o o o 11 17 o + o 11 17 o o o 11 21 - o o 12 17 o + o 13 15 o o o 13 14 o + o 13 14 - o o 13 16 o + o 14 15 o - o 14 15 + o o 14 16 + o o 18 21 - - o 19 20 o o o 