data_LaTiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   146.68
_cell_angle_beta   128.77
_cell_angle_gamma   62.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiAg2
_chemical_formula_sum   'La1 Ti1 Ag2'
_cell_volume   91.3
_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
  La  La2  1  0.0  0.59  0.04  1.0
  Ti  Ti3  1  0.0  0.0  0.35  1.0
  Ag  Ag0  1  0.0  0.59  0.08  1.0
  Ag  Ag1  1  0.0  0.0  0.9  1.0

data_LaTiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.18
_cell_length_c   5.99
_cell_angle_alpha   115.61
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiAg2
_chemical_formula_sum   'La1 Ti1 Ag2'
_cell_volume   91.3
_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
  La  La0  1  0.41  0.45  0.45  1.0
  Ti  Ti1  1  0.0  0.35  0.35  1.0
  Ag  Ag2  1  0.0  0.9  0.9  1.0
  Ag  Ag3  1  0.41  0.49  0.49  1.0

La Ti Ag Ag