data_LiZrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   149.9
_cell_angle_beta   139.64
_cell_angle_gamma   51.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrSi
_chemical_formula_sum   'Li1 Zr1 Si1'
_cell_volume   50.67
_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  0.0  0.28  1.0
  Zr  Zr2  1  0.0  0.0  0.12  1.0
  Si  Si1  1  0.0  0.0  0.32  1.0

data_LiZrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.72
_cell_length_c   5.39
_cell_angle_alpha   110.18
_cell_angle_beta   105.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrSi
_chemical_formula_sum   'Li1 Zr1 Si1'
_cell_volume   50.67
_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  0.28  0.28  1.0
  Zr  Zr1  1  0.0  0.12  0.12  1.0
  Si  Si2  1  0.0  0.32  0.32  1.0

Li Zr Si