data_LiZrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   145.65
_cell_angle_beta   128.78
_cell_angle_gamma   63.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrIn
_chemical_formula_sum   'Li1 Zr1 In1'
_cell_volume   63.25
_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  Li1  1  0.0  0.0  0.95  1.0
  Zr  Zr2  1  0.0  0.0  0.03  1.0
  In  In0  1  0.0  0.0  0.94  1.0

data_LiZrIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.55
_cell_length_c   5.26
_cell_angle_alpha   115.61
_cell_angle_beta   107.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrIn
_chemical_formula_sum   'Li1 Zr1 In1'
_cell_volume   63.25
_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  Li0  1  0.05  0.05  0.05  1.0
  Zr  Zr1  1  0.97  0.97  0.97  1.0
  In  In2  1  0.06  0.06  0.06  1.0

Li Zr In