data_CoNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55
_cell_length_b   8.55
_cell_length_c   8.55
_cell_angle_alpha   17.63
_cell_angle_beta   17.63
_cell_angle_gamma   17.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2Ag
_chemical_formula_sum   'Co1 Ni2 Ag1'
_cell_volume   50.08
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.52  1.0
  Ni  Ni3  1  0.0  0.0  0.72  1.0
  Ag  Ag0  1  0.0  0.0  0.62  1.0

data_CoNi2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   2.62
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNi2Ag
_chemical_formula_sum   'Co2 Ni4 Ag2'
_cell_volume   100.16
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.28  1.0
  Ni  Ni2  2  0.0  0.0  0.48  1.0
  Ag  Ag3  2  0.0  0.0  0.38  1.0

Co Ni Ni Ag
Co Ni Ni Ag 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o - 1 3 o o o 2 3 o o o 