data_SrZrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   5.71
_cell_angle_alpha   107.26
_cell_angle_beta   107.26
_cell_angle_gamma   31.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrIn2
_chemical_formula_sum   'Sr1 Zr1 In2'
_cell_volume   108.24
_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  0.01  0.0  0.44  1.0
  Zr  Zr3  1  0.76  0.0  0.45  1.0
  In  In0  1  0.53  0.0  0.15  1.0
  In  In1  1  0.21  0.0  0.55  1.0

data_SrZrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.71
_cell_length_c   6.2
_cell_angle_alpha   107.26
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrIn2
_chemical_formula_sum   'Sr1 Zr1 In2'
_cell_volume   108.24
_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  Sr0  1  0.0  0.44  0.01  1.0
  Zr  Zr1  1  0.0  0.45  0.76  1.0
  In  In2  1  0.0  0.15  0.53  1.0
  In  In3  1  0.0  0.55  0.21  1.0

Sr Zr In In