data_MnReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   147.09
_cell_angle_beta   129.97
_cell_angle_gamma   61.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReNi
_chemical_formula_sum   'Mn1 Re1 Ni1'
_cell_volume   36.96
_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  0.03  1.0
  Re  Re2  1  0.0  0.0  0.57  1.0
  Ni  Ni1  1  0.0  0.0  0.11  1.0

data_MnReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   3.78
_cell_length_c   4.48
_cell_angle_alpha   115.01
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReNi
_chemical_formula_sum   'Mn1 Re1 Ni1'
_cell_volume   36.96
_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  0.03  0.03  1.0
  Re  Re1  1  0.0  0.57  0.57  1.0
  Ni  Ni2  1  0.0  0.11  0.11  1.0

Mn Re Ni
Mn Re Ni 0 2 o o o 0 1 o o o 0 1 o o - 1 1 o + + 1 2 o o o 1 2 o o + 