data_ScBeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeIr
_chemical_formula_sum   'Sc1 Be1 Ir1'
_cell_volume   44.26
_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
  Sc  Sc2  1  0.0  0.28  0.27  1.0
  Be  Be0  1  0.0  0.0  0.16  1.0
  Ir  Ir1  1  0.97  0.14  0.86  1.0

data_ScBeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.94
_cell_length_c   3.94
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeIr
_chemical_formula_sum   'Sc1 Be1 Ir1'
_cell_volume   44.26
_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
  Sc  Sc0  1  0.27  -0.0  0.28  1.0
  Be  Be1  1  0.16  0.0  0.0  1.0
  Ir  Ir2  1  0.86  0.97  0.14  1.0

Sc Be Ir