data_TaAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   37.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgBi2
_chemical_formula_sum   'Ta1 Ag1 Bi2'
_cell_volume   94.01
_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
  Ta  Ta3  1  0.3  0.0  0.99  1.0
  Ag  Ag0  1  0.0  0.0  0.62  1.0
  Bi  Bi1  1  0.3  0.0  0.87  1.0
  Bi  Bi2  1  0.0  0.0  0.59  1.0

data_TaAgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.61
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   108.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgBi2
_chemical_formula_sum   'Ta1 Ag1 Bi2'
_cell_volume   94.01
_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
  Ta  Ta0  1  0.01  0.3  0.01  1.0
  Ag  Ag1  1  0.38  0.0  0.38  1.0
  Bi  Bi2  1  0.13  0.3  0.13  1.0
  Bi  Bi3  1  0.41  0.0  0.41  1.0

Ta Ag Bi Bi
Ta Ag Bi Bi 0 2 o o o 1 3 o o o 