data_Mg(ReO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   27.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(ReO4)2
_chemical_formula_sum   'Mg1 Re2 O8'
_cell_volume   775.1
_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  0.87  1.0
  Re  Re9  1  0.67  0.33  0.94  1.0
  Re  Re10  1  0.33  0.67  0.8  1.0
  O  O1  1  0.79  0.13  0.91  1.0
  O  O2  1  0.87  0.66  0.91  1.0
  O  O3  1  0.66  0.79  0.83  1.0
  O  O4  1  0.34  0.21  0.91  1.0
  O  O5  1  0.13  0.34  0.83  1.0
  O  O6  1  0.21  0.87  0.83  1.0
  O  O7  1  0.67  0.33  1.0  1.0
  O  O8  1  0.33  0.67  0.74  1.0

Mg Re Re O O O O O O O O 0 5 - - o 0 7 o o o 0 3 - o o 0 8 o - o 0 4 - - o 0 6 o o o 1 6 o o o 1 3 o o o 1 4 o o o 1 9 o o o 2 7 o o o 2 8 o o o 2 10 o o o 2 5 o o o 
data_Mg(ReO4)2
_symmetry_space_group_name_H-M   P-3
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   27.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   147
_chemical_formula_structural   Mg(ReO4)2
_chemical_formula_sum   'Mg1 Re2 O8'
_cell_volume   775.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -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  0.5  1.0
  Re  Re1  2  0.33  0.67  0.43  1.0
  O  O2  6  0.13  0.34  0.46  1.0
  O  O3  2  0.33  0.67  0.37  1.0
