[CIF]
data_Mg2FeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11946226
_cell_length_b   5.11946226
_cell_length_c   5.11946226
_cell_angle_alpha   134.71133399
_cell_angle_beta   134.71133399
_cell_angle_gamma   65.97905365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeAs
_chemical_formula_sum   'Mg2 Fe1 As1'
_cell_volume   66.72966946
_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
  As  As0  1  0.00000000  0.00000000  4.29405192  1
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1
  Mg  Mg2  1  0.00000000  1.97104185  2.14702596  1
  Mg  Mg3  1  1.97104185  -0.00000000  2.14702596  1
[/CIF]
