data_La2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   7.36
_cell_angle_alpha   106.93
_cell_angle_beta   106.93
_cell_angle_gamma   61.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BIr
_chemical_formula_sum   'La2 B1 Ir1'
_cell_volume   99.34
_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  0.57  0.0  0.74  1.0
  La  La3  1  0.89  0.0  0.19  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.23  0.0  0.46  1.0

data_La2BIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   7.3
_cell_angle_alpha   91.63
_cell_angle_beta   105.07
_cell_angle_gamma   118.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BIr
_chemical_formula_sum   'La2 B1 Ir1'
_cell_volume   99.34
_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  0.7  0.0  0.81  1.0
  La  La1  1  0.83  0.0  0.26  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.76  0.0  0.54  1.0

La La B Ir