data_Mn2BeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01
_cell_length_b   8.01
_cell_length_c   8.01
_cell_angle_alpha   18.84
_cell_angle_beta   18.84
_cell_angle_gamma   18.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeRe
_chemical_formula_sum   'Mn2 Be1 Re1'
_cell_volume   46.84
_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  0.05  1.0
  Mn  Mn2  1  0.0  0.0  0.55  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.8  1.0

data_Mn2BeRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   2.62
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2BeRe
_chemical_formula_sum   'Mn4 Be2 Re2'
_cell_volume   93.68
_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  0.45  1.0
  Mn  Mn1  2  0.0  0.0  0.95  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Re  Re3  2  0.0  0.0  0.2  1.0

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