data_LaVAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.85
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   97.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVAg2
_chemical_formula_sum   'La1 V1 Ag2'
_cell_volume   87.93
_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
  La  La2  1  0.14  0.42  0.62  1.0
  V  V3  1  0.26  0.0  0.61  1.0
  Ag  Ag0  1  0.09  0.42  0.42  1.0
  Ag  Ag1  1  0.72  0.0  0.38  1.0

data_LaVAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.85
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   97.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVAg2
_chemical_formula_sum   'La1 V1 Ag2'
_cell_volume   87.93
_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
  La  La0  1  0.14  0.42  0.62  1.0
  V  V1  1  0.26  0.0  0.61  1.0
  Ag  Ag2  1  0.09  0.42  0.42  1.0
  Ag  Ag3  1  0.72  0.0  0.38  1.0

La V Ag Ag
La V Ag Ag 0 2 o o o 0 1 o o o 1 2 o o o 1 3 - o o 1 3 o o o 2 3 - o o 