[CIF]
data_Mg2ZrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64711831
_cell_length_b   4.64711831
_cell_length_c   4.64711831
_cell_angle_alpha   120.73934062
_cell_angle_beta   120.73934062
_cell_angle_gamma   88.72412470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrFe
_chemical_formula_sum   'Mg2 Zr1 Fe1'
_cell_volume   70.15179336
_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
  Fe  Fe0  1  0.00000000  0.00000000  3.32239123  1
  Mg  Mg1  1  0.00000000  2.29754490  1.66119562  1
  Mg  Mg2  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr3  1  2.29754490  0.00000000  1.66119562  1
[/CIF]
