data_Ta2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   139.63
_cell_angle_beta   139.63
_cell_angle_gamma   58.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcSe
_chemical_formula_sum   'Ta2 Tc1 Se1'
_cell_volume   66.96
_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  0.88  0.0  0.37  1.0
  Ta  Ta2  1  0.0  0.0  0.75  1.0
  Tc  Tc3  1  0.0  0.88  0.37  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   3.76
_cell_length_b   3.76
_cell_length_c   5.44
_cell_angle_alpha   110.19
_cell_angle_beta   110.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcSe
_chemical_formula_sum   'Ta2 Tc1 Se1'
_cell_volume   66.96
_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  0.25  0.0  0.25  1.0
  Ta  Ta1  1  0.63  0.0  0.5  1.0
  Tc  Tc2  1  0.5  0.88  0.5  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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