data_TaBiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01
_cell_length_b   7.85
_cell_length_c   3.13
_cell_angle_alpha   81.52
_cell_angle_beta   75.73
_cell_angle_gamma   22.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiAs
_chemical_formula_sum   'Ta1 Bi1 As1'
_cell_volume   72.2
_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  Ta2  1  0.9  0.49  0.25  1.0
  Bi  Bi1  1  0.9  0.49  0.54  1.0
  As  As0  1  0.9  0.49  0.68  1.0

data_TaBiAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   15.24
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   127.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaBiAs
_chemical_formula_sum   'Ta2 Bi2 As2'
_cell_volume   144.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.4  0.5  0.16  1.0
  Bi  Bi1  2  0.4  0.5  0.44  1.0
  As  As2  2  0.4  0.5  0.59  1.0

Ta Bi As