data_LaTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   4.87
_cell_angle_alpha   103.14
_cell_angle_beta   103.14
_cell_angle_gamma   38.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTe2Ir
_chemical_formula_sum   'La1 Te2 Ir1'
_cell_volume   122.31
_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  La1  1  0.86  0.0  0.03  1.0
  Te  Te2  1  0.62  0.0  0.99  1.0
  Te  Te3  1  0.72  0.0  0.24  1.0
  Ir  Ir0  1  0.18  0.0  0.57  1.0

data_LaTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.87
_cell_length_c   6.43
_cell_angle_alpha   103.14
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTe2Ir
_chemical_formula_sum   'La1 Te2 Ir1'
_cell_volume   122.31
_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  0.0  0.03  0.86  1.0
  Te  Te1  1  0.0  0.24  0.72  1.0
  Te  Te2  1  0.0  0.99  0.62  1.0
  Ir  Ir3  1  0.0  0.57  0.18  1.0

La Te Te Ir