data_BeCoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.28
_cell_angle_alpha   109.59
_cell_angle_beta   109.59
_cell_angle_gamma   34.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoIr2
_chemical_formula_sum   'Be1 Co1 Ir2'
_cell_volume   47.9
_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  0.53  0.0  0.15  1.0
  Co  Co1  1  0.44  0.0  0.87  1.0
  Ir  Ir2  1  0.98  0.0  0.22  1.0
  Ir  Ir3  1  0.05  0.0  0.77  1.0

data_BeCoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.28
_cell_length_c   4.62
_cell_angle_alpha   109.59
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoIr2
_chemical_formula_sum   'Be1 Co1 Ir2'
_cell_volume   47.9
_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  0.15  0.53  1.0
  Co  Co1  1  0.0  0.87  0.44  1.0
  Ir  Ir2  1  0.0  0.22  0.98  1.0
  Ir  Ir3  1  0.0  0.77  0.05  1.0

Be Co Ir Ir