data_Be2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   137.58
_cell_angle_beta   137.58
_cell_angle_gamma   61.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoIr
_chemical_formula_sum   'Be2 Co1 Ir1'
_cell_volume   42.15
_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
  Be  Be1  1  0.64  0.0  0.95  1.0
  Co  Co2  1  0.0  0.0  0.9  1.0
  Ir  Ir3  1  0.0  0.64  0.95  1.0

data_Be2CoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   4.54
_cell_angle_alpha   111.21
_cell_angle_beta   111.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoIr
_chemical_formula_sum   'Be2 Co1 Ir1'
_cell_volume   42.15
_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
  Be  Be1  1  0.05  0.0  0.69  1.0
  Co  Co2  1  0.1  0.0  0.1  1.0
  Ir  Ir3  1  0.69  0.64  0.69  1.0

Be Be Co Ir