data_La2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   140.45
_cell_angle_beta   140.45
_cell_angle_gamma   57.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoIr
_chemical_formula_sum   'La2 Co1 Ir1'
_cell_volume   89.15
_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
  La  La2  1  0.0  0.0  0.31  1.0
  La  La3  1  0.0  0.05  0.66  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.05  0.0  0.66  1.0

data_La2CoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.05
_cell_angle_alpha   109.77
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoIr
_chemical_formula_sum   'La2 Co1 Ir1'
_cell_volume   89.15
_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
  La  La0  1  0.31  0.31  0.31  1.0
  La  La1  1  0.61  0.66  0.61  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.66  0.61  0.61  1.0

La La Co Ir