data_Mg2CrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.88
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrAu
_chemical_formula_sum   'Mg2 Cr1 Au1'
_cell_volume   68.04
_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  0.48  0.94  0.78  1.0
  Mg  Mg3  1  0.0  0.0  0.57  1.0
  Cr  Cr1  1  0.0  0.0  0.39  1.0
  Au  Au0  1  0.48  0.94  0.03  1.0

data_Mg2CrAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.88
_cell_length_b   2.97
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2CrAu
_chemical_formula_sum   'Mg2 Cr1 Au1'
_cell_volume   68.04
_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  0.0  0.0  0.57  1.0
  Mg  Mg1  1  0.94  0.5  0.78  1.0
  Cr  Cr2  1  0.0  0.0  0.39  1.0
  Au  Au3  1  0.94  0.5  0.03  1.0

Mg Mg Cr Au