data_CaVAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.77
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   92.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVAg2
_chemical_formula_sum   'Ca1 V1 Ag2'
_cell_volume   83.26
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.88  0.0  0.36  1.0
  Ag  Ag0  1  0.48  0.89  0.79  1.0
  Ag  Ag1  1  0.57  0.89  0.93  1.0

data_CaVAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.77
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   92.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVAg2
_chemical_formula_sum   'Ca1 V1 Ag2'
_cell_volume   83.26
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.88  0.0  0.36  1.0
  Ag  Ag2  1  0.48  0.89  0.79  1.0
  Ag  Ag3  1  0.57  0.89  0.93  1.0

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