data_CaNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   142.75
_cell_angle_beta   129.64
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2Ag
_chemical_formula_sum   'Ca1 Ni2 Ag1'
_cell_volume   66.46
_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  Ca1  1  0.0  0.0  0.14  1.0
  Ni  Ni2  1  0.0  0.23  0.12  1.0
  Ni  Ni3  1  0.0  0.0  0.89  1.0
  Ag  Ag0  1  0.0  0.23  0.18  1.0

data_CaNi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.46
_cell_length_c   5.25
_cell_angle_alpha   115.18
_cell_angle_beta   108.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2Ag
_chemical_formula_sum   'Ca1 Ni2 Ag1'
_cell_volume   66.46
_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  0.86  0.86  0.86  1.0
  Ni  Ni1  1  0.11  0.11  0.11  1.0
  Ni  Ni2  1  0.88  0.12  0.12  1.0
  Ag  Ag3  1  0.82  0.05  0.05  1.0

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