data_LiAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.0
_cell_angle_alpha   96.84
_cell_angle_beta   96.84
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg2As
_chemical_formula_sum   'Li1 Ag2 As1'
_cell_volume   69.33
_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  Li3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.89  0.0  0.75  1.0
  Ag  Ag1  1  0.98  0.0  0.22  1.0
  As  As2  1  0.44  0.0  0.48  1.0

data_LiAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.97
_cell_length_c   5.0
_cell_angle_alpha   96.84
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg2As
_chemical_formula_sum   'Li1 Ag2 As1'
_cell_volume   69.33
_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  0.0  1.0
  Ag  Ag1  1  0.0  0.02  0.78  1.0
  Ag  Ag2  1  0.0  0.11  0.25  1.0
  As  As3  1  0.0  0.56  0.52  1.0

Li Ag Ag As
Li Ag Ag As 0 1 - o - 0 2 - o o 0 3 o o o 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 3 3 + - o 