data_MgCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo3
_chemical_formula_sum   'Mg6 Co18'
_cell_volume   296.04
_cell_formula_units_Z   6
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  Mg18  1  0.0  0.0  0.16  1.0
  Mg  Mg19  1  0.0  0.0  0.48  1.0
  Mg  Mg20  1  0.6  0.5  0.57  1.0
  Mg  Mg21  1  0.6  0.5  0.4  1.0
  Mg  Mg22  1  0.0  0.0  0.24  1.0
  Mg  Mg23  1  0.0  0.0  0.08  1.0
  Co  Co0  1  0.6  0.08  0.16  1.0
  Co  Co1  1  0.83  0.21  0.16  1.0
  Co  Co2  1  0.37  0.21  0.16  1.0
  Co  Co3  1  0.0  0.42  0.48  1.0
  Co  Co4  1  0.77  0.29  0.48  1.0
  Co  Co5  1  0.23  0.29  0.48  1.0
  Co  Co6  1  0.6  0.01  0.27  1.0
  Co  Co7  1  0.3  0.75  0.27  1.0
  Co  Co8  1  0.9  0.75  0.27  1.0
  Co  Co9  1  0.6  0.01  0.05  1.0
  Co  Co10  1  0.3  0.75  0.05  1.0
  Co  Co11  1  0.9  0.75  0.05  1.0
  Co  Co12  1  0.0  0.5  0.37  1.0
  Co  Co13  1  0.3  0.76  0.37  1.0
  Co  Co14  1  0.7  0.76  0.37  1.0
  Co  Co15  1  0.0  0.5  0.59  1.0
  Co  Co16  1  0.3  0.76  0.59  1.0
  Co  Co17  1  0.7  0.76  0.59  1.0

data_MgCo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo3
_chemical_formula_sum   'Mg6 Co18'
_cell_volume   296.04
_cell_formula_units_Z   6
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  0.16  1.0
  Mg  Mg1  1  0.0  0.0  0.48  1.0
  Mg  Mg2  1  0.0  0.0  0.08  1.0
  Mg  Mg3  1  0.0  0.0  0.24  1.0
  Mg  Mg4  1  0.6  0.5  0.4  1.0
  Mg  Mg5  1  0.6  0.5  0.57  1.0
  Co  Co6  1  0.0  0.42  0.48  1.0
  Co  Co7  1  0.0  0.5  0.37  1.0
  Co  Co8  1  0.0  0.5  0.59  1.0
  Co  Co9  1  0.23  0.29  0.48  1.0
  Co  Co10  1  0.3  0.75  0.05  1.0
  Co  Co11  1  0.3  0.75  0.27  1.0
  Co  Co12  1  0.3  0.76  0.37  1.0
  Co  Co13  1  0.3  0.76  0.59  1.0
  Co  Co14  1  0.37  0.21  0.16  1.0
  Co  Co15  1  0.6  0.01  0.05  1.0
  Co  Co16  1  0.6  0.01  0.27  1.0
  Co  Co17  1  0.6  0.08  0.16  1.0
  Co  Co18  1  0.7  0.76  0.37  1.0
  Co  Co19  1  0.7  0.76  0.59  1.0
  Co  Co20  1  0.77  0.29  0.48  1.0
  Co  Co21  1  0.83  0.21  0.16  1.0
  Co  Co22  1  0.9  0.75  0.05  1.0
  Co  Co23  1  0.9  0.75  0.27  1.0

Mg Mg Mg Mg Mg Mg Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co