data_MnBeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   143.24
_cell_angle_beta   143.24
_cell_angle_gamma   52.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeRe
_chemical_formula_sum   'Mn1 Be1 Re1'
_cell_volume   33.96
_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  Mn1  1  0.0  0.0  0.4  1.0
  Be  Be0  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.0  0.0  0.71  1.0

data_MnBeRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   116.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBeRe
_chemical_formula_sum   'Mn2 Be2 Re2'
_cell_volume   67.92
_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
  Mn  Mn0  2  0.0  0.0  0.6  1.0
  Be  Be1  2  0.0  0.0  0.93  1.0
  Re  Re2  2  0.0  0.0  0.29  1.0

Mn Be Re