data_Mg2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.25
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeSi
_chemical_formula_sum   'Mg2 Fe1 Si1'
_cell_volume   54.36
_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  0.85  0.0  0.76  1.0
  Mg  Mg2  1  0.77  0.12  0.23  1.0
  Fe  Fe0  1  0.09  0.12  0.59  1.0
  Si  Si3  1  0.9  0.0  0.46  1.0

data_Mg2FeSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.25
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeSi
_chemical_formula_sum   'Mg2 Fe1 Si1'
_cell_volume   54.36
_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  0.77  0.12  0.23  1.0
  Mg  Mg1  1  0.85  0.0  0.76  1.0
  Fe  Fe2  1  0.09  0.12  0.59  1.0
  Si  Si3  1  0.9  0.0  0.46  1.0

Mg Mg Fe Si