data_BaZr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   4.02
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZr2In
_chemical_formula_sum   'Ba1 Zr2 In1'
_cell_volume   118.92
_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
  Ba  Ba0  1  0.72  0.01  0.43  1.0
  Zr  Zr2  1  0.72  0.01  0.59  1.0
  Zr  Zr3  1  0.0  0.0  0.57  1.0
  In  In1  1  0.0  0.0  0.96  1.0

data_BaZr2In
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.44
_cell_length_b   4.02
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaZr2In
_chemical_formula_sum   'Ba1 Zr2 In1'
_cell_volume   118.92
_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
  Ba  Ba0  1  0.72  0.0  0.43  1.0
  Zr  Zr1  1  0.0  0.0  0.57  1.0
  Zr  Zr2  1  0.72  0.0  0.59  1.0
  In  In3  1  0.0  0.0  0.96  1.0

Ba Zr Zr In
Ba Zr Zr In 0 2 + o o 0 1 o o o 1 2 + o o 1 3 + o o 1 3 o o o 2 3 o o o 3 3 + o o 3 3 o + o 