data_Be2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.01
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2IrBr
_chemical_formula_sum   'Be2 Ir1 Br1'
_cell_volume   57.36
_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  0.49  0.0  0.36  1.0
  Be  Be1  1  0.49  0.0  0.06  1.0
  Ir  Ir3  1  0.0  0.5  0.21  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Be2IrBr
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   2.97
_cell_length_b   3.01
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   Be2IrBr
_chemical_formula_sum   'Be2 Ir1 Br1'
_cell_volume   57.36
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.5  0.0  0.06  1.0
  Be  Be1  1  0.5  0.0  0.36  1.0
  Ir  Ir2  1  0.0  0.5  0.21  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Be Be Ir Br