data_MnBe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   3.72
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Re
_chemical_formula_sum   'Mn1 Be2 Re1'
_cell_volume   43.56
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.76  0.86  0.59  1.0
  Be  Be1  1  0.69  0.86  0.1  1.0
  Re  Re3  1  0.73  0.0  0.34  1.0

data_MnBe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   3.72
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Re
_chemical_formula_sum   'Mn1 Be2 Re1'
_cell_volume   43.56
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.69  0.86  0.1  1.0
  Be  Be2  1  0.76  0.86  0.59  1.0
  Re  Re3  1  0.73  0.0  0.34  1.0

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