data_MnCrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.65
_cell_angle_alpha   112.12
_cell_angle_beta   112.12
_cell_angle_gamma   34.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrAu2
_chemical_formula_sum   'Mn1 Cr1 Au2'
_cell_volume   60.09
_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  0.66  0.0  0.09  1.0
  Cr  Cr2  1  0.15  0.0  0.26  1.0
  Au  Au0  1  0.5  0.0  0.19  1.0
  Au  Au1  1  0.81  0.0  0.13  1.0

data_MnCrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.65
_cell_length_c   4.97
_cell_angle_alpha   112.12
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrAu2
_chemical_formula_sum   'Mn1 Cr1 Au2'
_cell_volume   60.09
_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  Mn0  1  0.0  0.09  0.66  1.0
  Cr  Cr1  1  0.0  0.26  0.15  1.0
  Au  Au2  1  0.0  0.13  0.81  1.0
  Au  Au3  1  0.0  0.19  0.5  1.0

Mn Cr Au Au