data_MnRe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Au
_chemical_formula_sum   'Mn1 Re2 Au1'
_cell_volume   60.21
_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  Mn1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.57  0.0  0.01  1.0
  Re  Re3  1  0.57  0.0  0.93  1.0
  Au  Au0  1  0.0  0.0  0.47  1.0

data_MnRe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Au
_chemical_formula_sum   'Mn1 Re2 Au1'
_cell_volume   60.21
_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  0.0  0.0  1.0
  Re  Re1  1  0.57  0.0  0.01  1.0
  Re  Re2  1  0.57  0.0  0.93  1.0
  Au  Au3  1  0.0  0.0  0.47  1.0

Mn Re Re Au
Mn Re Re Au 0 2 - o - 0 1 - o o 1 2 o o - 3 3 + + o 3 3 o + o 3 3 + o o 