data_Mg3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Co
_chemical_formula_sum   'Mg6 Co2'
_cell_volume   143.69
_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
  Mg  Mg2  1  0.99  0.89  0.17  1.0
  Mg  Mg3  1  0.57  0.37  0.17  1.0
  Mg  Mg4  1  0.4  0.37  0.17  1.0
  Mg  Mg5  1  0.99  0.11  0.51  1.0
  Mg  Mg6  1  0.4  0.63  0.51  1.0
  Mg  Mg7  1  0.57  0.63  0.51  1.0
  Co  Co0  1  0.99  0.56  0.17  1.0
  Co  Co1  1  0.99  0.44  0.51  1.0

data_Mg3Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.68
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   119.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg3Co
_chemical_formula_sum   'Mg6 Co2'
_cell_volume   143.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.17  0.08  0.63  1.0
  Mg  Mg1  2  0.17  0.5  0.11  1.0
  Mg  Mg2  2  0.17  0.92  0.63  1.0
  Co  Co3  2  0.17  0.5  0.44  1.0

Mg Mg Mg Mg Mg Mg Co Co