data_CaCoAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   131.69
_cell_angle_beta   131.69
_cell_angle_gamma   70.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoAg2
_chemical_formula_sum   'Ca1 Co1 Ag2'
_cell_volume   75.23
_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
  Co  Co3  1  0.11  0.0  0.11  1.0
  Ag  Ag0  1  0.0  0.0  0.21  1.0
  Ag  Ag1  1  0.0  0.11  0.11  1.0

data_CaCoAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.16
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoAg2
_chemical_formula_sum   'Ca1 Co1 Ag2'
_cell_volume   75.23
_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
  Co  Co1  1  0.89  0.0  0.01  1.0
  Ag  Ag2  1  0.01  0.11  0.01  1.0
  Ag  Ag3  1  0.79  0.0  0.79  1.0

Ca Co Ag Ag