data_MnReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReNi2
_chemical_formula_sum   'Mn1 Re1 Ni2'
_cell_volume   48.84
_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  0.71  1.0
  Re  Re3  1  0.78  0.0  0.7  1.0
  Ni  Ni1  1  0.78  0.0  0.29  1.0
  Ni  Ni2  1  0.0  0.0  0.55  1.0

data_MnReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReNi2
_chemical_formula_sum   'Mn1 Re1 Ni2'
_cell_volume   48.84
_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  0.71  1.0
  Re  Re1  1  0.78  0.0  0.7  1.0
  Ni  Ni2  1  0.0  0.0  0.55  1.0
  Ni  Ni3  1  0.78  0.0  0.29  1.0

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