data_BeMoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.98
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   104.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoIr2
_chemical_formula_sum   'Be1 Mo1 Ir2'
_cell_volume   54.2
_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
  Mo  Mo3  1  0.35  0.0  0.49  1.0
  Ir  Ir1  1  0.71  0.99  0.16  1.0
  Ir  Ir2  1  0.72  0.99  0.83  1.0

data_BeMoIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   3.98
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   104.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeMoIr2
_chemical_formula_sum   'Be1 Mo1 Ir2'
_cell_volume   54.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mo  Mo1  1  0.35  0.0  0.49  1.0
  Ir  Ir2  1  0.71  0.0  0.16  1.0
  Ir  Ir3  1  0.72  0.0  0.83  1.0

Be Mo Ir Ir