# generated using pymatgen
data_MgCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80715459
_cell_length_b   4.80719388
_cell_length_c   7.86034796
_cell_angle_alpha   90.00024743
_cell_angle_beta   89.99994934
_cell_angle_gamma   120.00181776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2
_chemical_formula_sum   'Mg4 Co8'
_cell_volume   157.30559687
_cell_formula_units_Z   4
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  0.33332936  0.66664160  0.06156864  1.0
  Mg  Mg1  1  0.33337862  0.66667936  0.43840857  1.0
  Mg  Mg2  1  0.66666358  0.33335630  0.56155105  1.0
  Mg  Mg3  1  0.66661744  0.33331967  0.93847984  1.0
  Co  Co4  1  0.99997035  0.99998079  0.00001758  1.0
  Co  Co5  1  0.33936241  0.16959126  0.24999198  1.0
  Co  Co6  1  0.83049167  0.16957424  0.24999568  1.0
  Co  Co7  1  0.83047678  0.66070784  0.24999670  1.0
  Co  Co8  1  0.00003895  0.00003366  0.49997973  1.0
  Co  Co9  1  0.16951025  0.33927440  0.75000298  1.0
  Co  Co10  1  0.16949937  0.83041977  0.75000138  1.0
  Co  Co11  1  0.66066822  0.83042111  0.75000485  1.0