data_Mn2CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.6
_cell_angle_alpha   101.23
_cell_angle_beta   101.23
_cell_angle_gamma   35.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoAu
_chemical_formula_sum   'Mn2 Co1 Au1'
_cell_volume   52.75
_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  Mn2  1  0.04  0.0  0.05  1.0
  Mn  Mn3  1  0.46  0.0  0.5  1.0
  Co  Co1  1  0.11  0.0  0.96  1.0
  Au  Au0  1  0.77  0.0  0.24  1.0

data_Mn2CoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.48
_cell_length_c   4.6
_cell_angle_alpha   101.23
_cell_angle_beta   90.0
_cell_angle_gamma   107.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoAu
_chemical_formula_sum   'Mn2 Co1 Au1'
_cell_volume   52.75
_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  0.54  0.5  1.0
  Mn  Mn1  1  0.0  0.96  0.95  1.0
  Co  Co2  1  0.0  0.89  0.04  1.0
  Au  Au3  1  0.0  0.23  0.76  1.0

Mn Mn Co Au