data_CaNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.87
_cell_angle_alpha   100.69
_cell_angle_beta   100.69
_cell_angle_gamma   115.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2Ag
_chemical_formula_sum   'Ca1 Ni2 Ag1'
_cell_volume   66.79
_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  0.0  1.0
  Ni  Ni2  1  0.9  0.22  0.34  1.0
  Ni  Ni3  1  0.9  0.78  0.34  1.0
  Ag  Ag0  1  0.8  0.0  0.0  1.0

data_CaNi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   115.57
_cell_angle_beta   100.69
_cell_angle_gamma   100.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2Ag
_chemical_formula_sum   'Ca1 Ni2 Ag1'
_cell_volume   66.79
_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  0.34  0.9  0.78  1.0
  Ni  Ni2  1  0.34  0.9  0.22  1.0
  Ag  Ag3  1  0.0  0.8  0.0  1.0

Ca Ni Ni Ag