data_B2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.91
_cell_angle_alpha   92.13
_cell_angle_beta   92.13
_cell_angle_gamma   53.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeIr
_chemical_formula_sum   'B2 Te1 Ir1'
_cell_volume   60.6
_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
  B  B0  1  0.85  0.0  0.7  1.0
  B  B1  1  0.39  0.0  0.18  1.0
  Te  Te3  1  0.6  0.0  0.57  1.0
  Ir  Ir2  1  0.32  0.0  0.91  1.0

data_B2TeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.92
_cell_length_c   4.91
_cell_angle_alpha   92.13
_cell_angle_beta   90.0
_cell_angle_gamma   116.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeIr
_chemical_formula_sum   'B2 Te1 Ir1'
_cell_volume   60.6
_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
  B  B0  1  0.0  0.15  0.3  1.0
  B  B1  1  0.0  0.61  0.82  1.0
  Te  Te2  1  0.0  0.4  0.43  1.0
  Ir  Ir3  1  0.0  0.68  0.09  1.0

B B Te Ir