data_CaNiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   145.46
_cell_angle_beta   140.59
_cell_angle_gamma   53.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiAg
_chemical_formula_sum   'Ca1 Ni1 Ag1'
_cell_volume   58.34
_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  0.2  1.0
  Ni  Ni2  1  0.0  0.0  0.3  1.0
  Ag  Ag0  1  0.0  0.0  0.27  1.0

data_CaNiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.68
_cell_length_c   5.46
_cell_angle_alpha   109.7
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiAg
_chemical_formula_sum   'Ca1 Ni1 Ag1'
_cell_volume   58.34
_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  0.8  0.8  0.8  1.0
  Ni  Ni1  1  0.7  0.7  0.7  1.0
  Ag  Ag2  1  0.73  0.73  0.73  1.0

Ca Ni Ag