data_CaSiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.49
_cell_angle_alpha   112.6
_cell_angle_beta   112.6
_cell_angle_gamma   55.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiAg2
_chemical_formula_sum   'Ca1 Si1 Ag2'
_cell_volume   86.22
_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  0.95  0.0  0.59  1.0
  Si  Si3  1  0.21  0.0  0.47  1.0
  Ag  Ag0  1  0.7  0.0  0.54  1.0
  Ag  Ag1  1  0.5  0.0  0.76  1.0

data_CaSiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.6
_cell_length_c   5.49
_cell_angle_alpha   112.6
_cell_angle_beta   90.0
_cell_angle_gamma   117.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiAg2
_chemical_formula_sum   'Ca1 Si1 Ag2'
_cell_volume   86.22
_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  0.05  0.41  1.0
  Si  Si1  1  0.0  0.79  0.53  1.0
  Ag  Ag2  1  0.0  0.3  0.46  1.0
  Ag  Ag3  1  0.0  0.5  0.24  1.0

Ca Si Ag Ag