data_SrZrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrIr2
_chemical_formula_sum   'Sr1 Zr1 Ir2'
_cell_volume   92.82
_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
  Sr  Sr2  1  0.0  0.0  0.84  1.0
  Zr  Zr3  1  0.55  0.0  0.97  1.0
  Ir  Ir0  1  0.0  0.0  0.2  1.0
  Ir  Ir1  1  0.55  0.0  0.5  1.0

data_SrZrIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrZrIr2
_chemical_formula_sum   'Sr1 Zr1 Ir2'
_cell_volume   92.84
_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
  Sr  Sr0  1  0.0  0.0  0.84  1.0
  Zr  Zr1  1  0.55  0.0  0.97  1.0
  Ir  Ir2  1  0.0  0.0  0.2  1.0
  Ir  Ir3  1  0.55  0.0  0.5  1.0

Sr Zr Ir Ir
Sr Zr Ir Ir 0 1 - o o 0 1 o o o 0 2 o o + 0 3 o o o 0 3 - o o 1 2 + o + 1 2 o o + 1 3 o o o 2 3 - o o 2 3 o o o 