data_MnCr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Au
_chemical_formula_sum   'Mn1 Cr2 Au1'
_cell_volume   52.78
_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
  Mn  Mn3  1  0.0  0.0  0.41  1.0
  Cr  Cr1  1  0.0  0.0  0.09  1.0
  Cr  Cr2  1  0.49  0.0  0.23  1.0
  Au  Au0  1  0.49  0.0  0.09  1.0

data_MnCr2Au
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.6
_cell_length_b   8.33
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   110.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MnCr2Au
_chemical_formula_sum   'Mn1 Cr2 Au1'
_cell_volume   52.78
_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
  Mn  Mn0  1  0.0  0.59  0.0  1.0
  Cr  Cr1  1  0.0  0.91  0.0  1.0
  Cr  Cr2  1  0.5  0.77  0.0  1.0
  Au  Au3  1  0.5  0.91  0.0  1.0

Mn Cr Cr Au