data_Be2ReSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   138.81
_cell_angle_beta   138.81
_cell_angle_gamma   59.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReSe
_chemical_formula_sum   'Be2 Re1 Se1'
_cell_volume   49.83
_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  0.72  0.12  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.72  0.0  0.12  1.0
  Se  Se3  1  0.0  0.0  0.23  1.0

data_Be2ReSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   4.88
_cell_angle_alpha   110.6
_cell_angle_beta   110.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReSe
_chemical_formula_sum   'Be2 Re1 Se1'
_cell_volume   49.83
_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  0.0  0.0  1.0
  Be  Be1  1  0.6  0.72  0.6  1.0
  Re  Re2  1  0.88  0.0  0.6  1.0
  Se  Se3  1  0.77  0.0  0.77  1.0

Be Be Re Se
Be Be Re Se 0 3 o + o 1 3 o o o 2 3 + o o 