data_MgRe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.47
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2Ni
_chemical_formula_sum   'Mg1 Re2 Ni1'
_cell_volume   57.83
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.02  0.24  0.68  1.0
  Re  Re3  1  0.63  0.24  0.23  1.0
  Ni  Ni1  1  0.83  0.0  0.46  1.0

data_MgRe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.47
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2Ni
_chemical_formula_sum   'Mg1 Re2 Ni1'
_cell_volume   57.83
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.02  0.24  0.68  1.0
  Re  Re2  1  0.63  0.24  0.23  1.0
  Ni  Ni3  1  0.83  0.0  0.46  1.0

Mg Re Re Ni