data_TcBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.66
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   108.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2As
_chemical_formula_sum   'Tc1 Bi2 As1'
_cell_volume   95.8
_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
  Tc  Tc3  1  0.93  0.33  0.64  1.0
  Bi  Bi1  1  0.69  0.33  0.59  1.0
  Bi  Bi2  1  0.42  0.0  0.51  1.0
  As  As0  1  0.3  0.0  0.41  1.0

data_TcBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.66
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   108.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2As
_chemical_formula_sum   'Tc1 Bi2 As1'
_cell_volume   95.8
_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
  Tc  Tc0  1  0.93  0.33  0.64  1.0
  Bi  Bi1  1  0.42  0.0  0.51  1.0
  Bi  Bi2  1  0.69  0.33  0.59  1.0
  As  As3  1  0.3  0.0  0.41  1.0

Tc Bi Bi As
Tc Bi Bi As 0 1 o o o 2 3 o o o 