data_LaCoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.52
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   104.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoIr2
_chemical_formula_sum   'La1 Co1 Ir2'
_cell_volume   69.22
_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
  La  La3  1  0.79  0.0  0.6  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.21  0.26  0.07  1.0
  Ir  Ir2  1  0.37  0.26  0.13  1.0

data_LaCoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.52
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   104.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoIr2
_chemical_formula_sum   'La1 Co1 Ir2'
_cell_volume   69.22
_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
  La  La0  1  0.79  0.0  0.6  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.21  0.26  0.07  1.0
  Ir  Ir3  1  0.37  0.26  0.13  1.0

La Co Ir Ir