data_LiZrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   128.63
_cell_angle_beta   128.63
_cell_angle_gamma   75.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrIn2
_chemical_formula_sum   'Li1 Zr1 In2'
_cell_volume   85.8
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.15  1.0
  In  In0  1  0.0  0.27  0.07  1.0
  In  In1  1  0.27  0.0  0.07  1.0

data_LiZrIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   127.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZrIn2
_chemical_formula_sum   'Li2 Zr2 In4'
_cell_volume   171.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.35  0.5  0.85  1.0
  In  In2  4  0.06  0.14  0.2  1.0

Li Zr In In