data_Mg2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.98
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeCo
_chemical_formula_sum   'Mg2 Fe1 Co1'
_cell_volume   59.12
_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  Mg2  1  0.37  0.99  0.39  1.0
  Mg  Mg3  1  0.37  0.99  0.04  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.71  1.0

data_Mg2FeCo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   3.98
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2FeCo
_chemical_formula_sum   'Mg2 Fe1 Co1'
_cell_volume   59.12
_cell_formula_units_Z   1
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  1  0.37  0.0  0.04  1.0
  Mg  Mg1  1  0.37  0.0  0.39  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.0  0.71  1.0

Mg Mg Fe Co
Mg Mg Fe Co 0 2 o + o 0 3 o + o 0 1 o o o 1 2 o + o 2 3 o o - 