data_CaNiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   131.55
_cell_angle_beta   131.55
_cell_angle_gamma   70.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiAg2
_chemical_formula_sum   'Ca1 Ni1 Ag2'
_cell_volume   74.01
_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
  Ni  Ni3  1  0.1  0.0  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.18  1.0
  Ag  Ag1  1  0.0  0.1  0.09  1.0

data_CaNiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.13
_cell_angle_alpha   114.23
_cell_angle_beta   114.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiAg2
_chemical_formula_sum   'Ca1 Ni1 Ag2'
_cell_volume   74.01
_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
  Ni  Ni1  1  0.09  0.98  0.98  1.0
  Ag  Ag2  1  0.18  0.18  0.18  1.0
  Ag  Ag3  1  0.98  0.09  0.98  1.0

Ca Ni Ag Ag