data_ZrTeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeIr2
_chemical_formula_sum   'Zr1 Te1 Ir2'
_cell_volume   76.46
_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
  Zr  Zr3  1  0.0  0.0  0.15  1.0
  Te  Te2  1  0.47  0.0  0.41  1.0
  Ir  Ir0  1  0.47  0.0  0.05  1.0
  Ir  Ir1  1  0.0  0.0  0.43  1.0

data_ZrTeIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrTeIr2
_chemical_formula_sum   'Zr1 Te1 Ir2'
_cell_volume   76.52
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.0  0.0  0.15  1.0
  Te  Te1  1  0.47  0.0  0.41  1.0
  Ir  Ir2  1  0.0  0.0  0.43  1.0
  Ir  Ir3  1  0.47  0.0  0.05  1.0

Zr Te Ir Ir