data_BeMo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMo2Ir
_chemical_formula_sum   'Be1 Mo2 Ir1'
_cell_volume   56.58
_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  0.0  0.0  1.0
  Mo  Mo2  1  0.28  0.96  0.36  1.0
  Mo  Mo3  1  0.28  0.04  0.36  1.0
  Ir  Ir1  1  0.55  0.0  0.0  1.0

data_BeMo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   115.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMo2Ir
_chemical_formula_sum   'Be1 Mo2 Ir1'
_cell_volume   56.58
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.36  0.28  0.04  1.0
  Mo  Mo2  1  0.36  0.28  0.96  1.0
  Ir  Ir3  1  -0.0  0.55  0.0  1.0

Be Mo Mo Ir