data_Be2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.27
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   103.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReBr
_chemical_formula_sum   'Be2 Re1 Br1'
_cell_volume   62.87
_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
  Be  Be0  1  0.38  0.0  0.34  1.0
  Be  Be1  1  0.89  0.64  0.84  1.0
  Re  Re3  1  0.97  0.64  0.71  1.0
  Br  Br2  1  0.67  0.0  0.79  1.0

data_Be2ReBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.32
_cell_length_c   5.95
_cell_angle_alpha   103.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReBr
_chemical_formula_sum   'Be2 Re1 Br1'
_cell_volume   62.87
_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
  Be  Be0  1  0.0  0.62  0.66  1.0
  Be  Be1  1  0.36  0.11  0.16  1.0
  Re  Re2  1  0.36  0.03  0.29  1.0
  Br  Br3  1  0.0  0.33  0.21  1.0

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