data_Ta2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.16
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcSe
_chemical_formula_sum   'Ta2 Tc1 Se1'
_cell_volume   67.48
_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  Ta1  1  0.39  0.58  0.81  1.0
  Ta  Ta2  1  0.22  0.58  0.0  1.0
  Tc  Tc3  1  0.74  0.0  0.41  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Ta2TcSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.16
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcSe
_chemical_formula_sum   'Ta2 Tc1 Se1'
_cell_volume   67.48
_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  0.22  0.58  0.0  1.0
  Ta  Ta1  1  0.39  0.58  0.81  1.0
  Tc  Tc2  1  0.74  0.0  0.41  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Ta Tc Se
Ta Ta Tc Se 0 1 o o + 0 2 o + o 0 2 o o o 0 2 - + o 0 2 - o o 1 3 o + o 1 2 o + o 1 2 o o o 1 2 - + o 1 2 - o o 2 3 o o o 2 3 + o o 2 2 + o o 2 2 o + o 