data_LiMnAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   18.16
_cell_angle_beta   18.16
_cell_angle_gamma   18.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnAg2
_chemical_formula_sum   'Li1 Mn1 Ag2'
_cell_volume   66.57
_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  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.6  1.0
  Ag  Ag0  1  0.0  0.0  0.4  1.0
  Ag  Ag1  1  0.0  0.0  0.81  1.0

data_LiMnAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMnAg2
_chemical_formula_sum   'Li2 Mn2 Ag4'
_cell_volume   133.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.4  1.0
  Ag  Ag2  2  0.0  0.0  0.19  1.0
  Ag  Ag3  2  0.0  0.0  0.6  1.0

Li Mn Ag Ag
Li Mn Ag Ag 0 3 o o - 1 2 o o o 1 3 o o o 