data_MgReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   145.8
_cell_angle_beta   145.8
_cell_angle_gamma   49.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReAg
_chemical_formula_sum   'Mg1 Re1 Ag1'
_cell_volume   50.92
_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  Mg1  1  0.0  0.0  0.61  1.0
  Re  Re2  1  0.0  0.0  0.31  1.0
  Ag  Ag0  1  0.0  0.0  0.91  1.0

data_MgReAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   114.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgReAg
_chemical_formula_sum   'Mg2 Re2 Ag2'
_cell_volume   101.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.11  0.5  0.61  1.0
  Re  Re1  2  0.31  0.0  0.31  1.0
  Ag  Ag2  2  0.41  0.5  0.91  1.0

Mg Re Ag
Mg Re Ag 0 1 o o o 0 2 o o o 