data_MgBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.18
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeRe2
_chemical_formula_sum   'Mg1 Be1 Re2'
_cell_volume   57.58
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.32  0.09  0.97  1.0
  Re  Re3  1  0.32  0.09  0.24  1.0

data_MgBeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.18
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeRe2
_chemical_formula_sum   'Mg1 Be1 Re2'
_cell_volume   57.58
_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  0.61  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.32  0.09  0.24  1.0
  Re  Re3  1  0.32  0.09  0.97  1.0

Mg Be Re Re
Mg Be Re Re 0 3 o o o 0 1 o o + 0 2 o o o 1 2 o o - 1 3 o o o 2 3 o o + 