data_LaTaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaAg
_chemical_formula_sum   'La1 Ta1 Ag1'
_cell_volume   68.98
_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  La1  1  0.54  0.47  0.54  1.0
  Ta  Ta2  1  0.0  0.93  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_LaTaAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaAg
_chemical_formula_sum   'La1 Ta1 Ag1'
_cell_volume   68.98
_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  0.54  0.54  0.47  1.0
  Ta  Ta1  1  0.0  0.0  0.93  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0

La Ta Ag
La Ta Ag 0 2 o o o 0 2 o o + 0 2 + + o 0 2 + + + 0 1 o - o 0 1 o - + 0 1 + o o 0 1 + o + 0 0 o o + 1 2 o + o 