data_LiZnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   4.3
_cell_angle_alpha   110.67
_cell_angle_beta   110.67
_cell_angle_gamma   30.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnAs2
_chemical_formula_sum   'Li1 Zn1 As2'
_cell_volume   72.57
_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  0.18  0.0  0.53  1.0
  Zn  Zn3  1  0.53  0.0  0.73  1.0
  As  As0  1  0.04  0.0  0.44  1.0
  As  As1  1  0.95  0.0  0.31  1.0

data_LiZnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.3
_cell_length_c   5.94
_cell_angle_alpha   110.67
_cell_angle_beta   105.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnAs2
_chemical_formula_sum   'Li1 Zn1 As2'
_cell_volume   72.57
_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  0.53  0.18  1.0
  Zn  Zn1  1  0.0  0.73  0.53  1.0
  As  As2  1  0.0  0.31  0.95  1.0
  As  As3  1  0.0  0.44  0.04  1.0

Li Zn As As
Li Zn As As 0 2 o o o 0 1 o o o 2 3 - o o 