data_BeCo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   130.46
_cell_angle_beta   130.46
_cell_angle_gamma   72.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Ir
_chemical_formula_sum   'Be1 Co2 Ir1'
_cell_volume   43.91
_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
  Co  Co1  1  0.79  0.0  0.72  1.0
  Co  Co2  1  0.0  0.0  0.44  1.0
  Ir  Ir3  1  0.0  0.79  0.72  1.0

data_BeCo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   4.27
_cell_angle_alpha   114.77
_cell_angle_beta   114.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Ir
_chemical_formula_sum   'Be1 Co2 Ir1'
_cell_volume   43.91
_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
  Co  Co1  1  0.44  0.44  0.44  1.0
  Co  Co2  1  0.72  0.93  0.93  1.0
  Ir  Ir3  1  0.93  0.72  0.93  1.0

Be Co Co Ir