data_MgReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReNi2
_chemical_formula_sum   'Mg1 Re1 Ni2'
_cell_volume   53.16
_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  Re3  1  0.12  0.0  0.0  1.0
  Ni  Ni1  1  0.56  0.6  0.33  1.0
  Ni  Ni2  1  0.56  0.4  0.33  1.0

data_MgReNi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.66
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgReNi2
_chemical_formula_sum   'Mg1 Re1 Ni2'
_cell_volume   53.18
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.12  1.0
  Ni  Ni2  2  0.33  0.4  0.56  1.0

Mg Re Ni Ni