data_Li2ZrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.85
_cell_angle_alpha   100.75
_cell_angle_beta   100.75
_cell_angle_gamma   34.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrSi
_chemical_formula_sum   'Li2 Zr1 Si1'
_cell_volume   68.18
_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  0.86  0.0  0.76  1.0
  Li  Li1  1  0.87  0.0  1.0  1.0
  Zr  Zr3  1  0.37  0.0  0.38  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_Li2ZrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.85
_cell_length_c   5.06
_cell_angle_alpha   100.75
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrSi
_chemical_formula_sum   'Li2 Zr1 Si1'
_cell_volume   68.18
_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  0.0  0.76  0.86  1.0
  Li  Li1  1  0.0  1.0  0.87  1.0
  Zr  Zr2  1  0.0  0.38  0.37  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Li Li Zr Si