data_Ca2Si3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39
_cell_length_b   8.32
_cell_length_c   5.99
_cell_angle_alpha   69.64
_cell_angle_beta   68.38
_cell_angle_gamma   41.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Si3Ag
_chemical_formula_sum   'Ca4 Si6 Ag2'
_cell_volume   258.05
_cell_formula_units_Z   2
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  0.16  0.13  0.2  1.0
  Ca  Ca3  1  0.16  0.47  0.2  1.0
  Ca  Ca4  1  0.24  0.45  0.81  1.0
  Ca  Ca5  1  0.08  0.15  0.6  1.0
  Si  Si6  1  0.03  0.3  0.37  1.0
  Si  Si7  1  0.3  0.3  0.37  1.0
  Si  Si8  1  0.16  0.3  0.33  1.0
  Si  Si9  1  0.16  0.3  0.08  1.0
  Si  Si10  1  0.03  0.3  0.04  1.0
  Si  Si11  1  0.3  0.3  0.04  1.0
  Ag  Ag0  1  0.16  0.3  0.61  1.0
  Ag  Ag1  1  0.16  0.3  0.8  1.0

data_Ca2Si3Ag
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   8.32
_cell_angle_alpha   110.36
_cell_angle_beta   110.36
_cell_angle_gamma   91.89
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ca2Si3Ag
_chemical_formula_sum   'Ca4 Si6 Ag2'
_cell_volume   258.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.5  0.17  1.0
  Ca  Ca1  2  0.08  0.9  0.23  1.0
  Si  Si2  2  0.0  0.38  0.0  1.0
  Si  Si3  2  0.13  0.67  0.13  1.0
  Si  Si4  2  0.13  0.33  0.13  1.0
  Ag  Ag5  2  0.0  0.1  0.0  1.0

Ca Ca Ca Ca Si Si Si Si Si Si Ag Ag