data_MgCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2
_chemical_formula_sum   'Mg2 Co4'
_cell_volume   98.28
_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  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.42  0.42  0.1  1.0
  Co  Co0  1  0.64  0.64  0.0  1.0
  Co  Co1  1  0.19  0.19  0.0  1.0
  Co  Co2  1  0.06  0.77  0.1  1.0
  Co  Co3  1  0.77  0.06  0.1  1.0

data_MgCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCo2
_chemical_formula_sum   'Mg4 Co8'
_cell_volume   196.56
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Mg  Mg1  2  0.42  0.0  0.1  1.0
  Co  Co2  4  0.42  0.36  0.1  1.0
  Co  Co3  2  0.14  0.5  0.0  1.0
  Co  Co4  2  0.19  0.0  0.0  1.0

Mg Mg Co Co Co Co