data_Be2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   19.69
_cell_angle_beta   19.69
_cell_angle_gamma   19.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReNi
_chemical_formula_sum   'Be2 Re1 Ni1'
_cell_volume   44.96
_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
  Be  Be0  1  0.0  0.0  0.78  1.0
  Be  Be1  1  0.0  0.0  0.81  1.0
  Re  Re3  1  0.0  0.0  0.29  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Be2ReNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   2.63
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2ReNi
_chemical_formula_sum   'Be4 Re2 Ni2'
_cell_volume   89.93
_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
  Be  Be0  2  0.0  0.0  0.19  1.0
  Be  Be1  2  0.0  0.0  0.22  1.0
  Re  Re2  2  0.0  0.0  0.71  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

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