data_CaTi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2Ag
_chemical_formula_sum   'Ca1 Ti2 Ag1'
_cell_volume   83.77
_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
  Ti  Ti2  1  0.41  0.52  0.47  1.0
  Ti  Ti3  1  0.41  0.48  0.47  1.0
  Ag  Ag0  1  0.83  0.0  0.0  1.0

data_CaTi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.65
_cell_length_c   5.78
_cell_angle_alpha   119.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2Ag
_chemical_formula_sum   'Ca1 Ti2 Ag1'
_cell_volume   83.77
_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
  Ti  Ti1  1  0.47  0.48  0.89  1.0
  Ti  Ti2  1  0.47  0.52  0.94  1.0
  Ag  Ag3  1  0.0  0.0  0.83  1.0

Ca Ti Ti Ag