data_Mg2MnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnCo
_chemical_formula_sum   'Mg2 Mn1 Co1'
_cell_volume   61.67
_cell_formula_units_Z   1
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  Mg1  1  0.39  0.03  0.41  1.0
  Mg  Mg2  1  0.39  0.97  0.41  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.78  0.0  0.0  1.0

data_Mg2MnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   109.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnCo
_chemical_formula_sum   'Mg2 Mn1 Co1'
_cell_volume   61.67
_cell_formula_units_Z   1
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  0.41  0.39  0.03  1.0
  Mg  Mg1  1  0.41  0.39  0.97  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.78  0.0  1.0

Mg Mg Mn Co
Mg Mg Mn Co 0 1 o - o 2 3 - o o 