data_BeRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.74
_cell_angle_alpha   98.19
_cell_angle_beta   98.19
_cell_angle_gamma   34.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2Ir
_chemical_formula_sum   'Be1 Re2 Ir1'
_cell_volume   55.58
_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  0.99  0.0  0.27  1.0
  Re  Re2  1  0.36  0.0  0.57  1.0
  Re  Re3  1  0.64  0.0  0.54  1.0
  Ir  Ir1  1  0.31  0.0  0.33  1.0

data_BeRe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.57
_cell_length_c   4.74
_cell_angle_alpha   98.19
_cell_angle_beta   90.0
_cell_angle_gamma   107.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2Ir
_chemical_formula_sum   'Be1 Re2 Ir1'
_cell_volume   55.58
_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  0.01  0.73  1.0
  Re  Re1  1  0.0  0.36  0.46  1.0
  Re  Re2  1  0.0  0.64  0.43  1.0
  Ir  Ir3  1  0.0  0.69  0.67  1.0

Be Re Re Ir