data_Be2ReIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   35.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReIr
_chemical_formula_sum   'Be2 Re1 Ir1'
_cell_volume   44.64
_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  0.9  0.0  0.49  1.0
  Be  Be1  1  0.0  0.0  0.78  1.0
  Re  Re3  1  0.0  0.0  0.09  1.0
  Ir  Ir2  1  0.9  0.0  0.64  1.0

data_Be2ReIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.8
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   107.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReIr
_chemical_formula_sum   'Be2 Re1 Ir1'
_cell_volume   44.64
_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  0.22  0.0  0.22  1.0
  Be  Be1  1  0.51  0.9  0.51  1.0
  Re  Re2  1  0.91  0.0  0.91  1.0
  Ir  Ir3  1  0.36  0.9  0.36  1.0

Be Be Re Ir