data_MgFeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   145.08
_cell_angle_beta   129.82
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeCo2
_chemical_formula_sum   'Mg1 Fe1 Co2'
_cell_volume   50.23
_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  Mg3  1  0.0  0.0  0.26  1.0
  Fe  Fe2  1  0.46  0.0  0.02  1.0
  Co  Co0  1  0.46  0.0  0.12  1.0
  Co  Co1  1  0.0  0.0  0.08  1.0

data_MgFeCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.13
_cell_length_c   4.87
_cell_angle_alpha   115.09
_cell_angle_beta   107.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeCo2
_chemical_formula_sum   'Mg1 Fe1 Co2'
_cell_volume   50.23
_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  0.0  0.26  0.26  1.0
  Fe  Fe1  1  0.0  0.02  0.56  1.0
  Co  Co2  1  0.0  0.08  0.08  1.0
  Co  Co3  1  0.0  0.12  0.66  1.0

Mg Fe Co Co