data_BeReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.42
_cell_angle_alpha   94.33
_cell_angle_beta   94.33
_cell_angle_gamma   42.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReBi2
_chemical_formula_sum   'Be1 Re1 Bi2'
_cell_volume   84.21
_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
  Re  Re3  1  0.25  0.0  0.7  1.0
  Bi  Bi1  1  0.66  0.0  0.0  1.0
  Bi  Bi2  1  0.85  0.0  0.4  1.0

data_BeReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.8
_cell_length_c   5.42
_cell_angle_alpha   94.33
_cell_angle_beta   90.0
_cell_angle_gamma   111.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReBi2
_chemical_formula_sum   'Be1 Re1 Bi2'
_cell_volume   84.21
_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
  Re  Re1  1  0.0  0.75  0.3  1.0
  Bi  Bi2  1  0.0  0.15  0.6  1.0
  Bi  Bi3  1  0.0  0.34  1.0  1.0

Be Re Bi Bi