data_TaCrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.32
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrTc2
_chemical_formula_sum   'Ta1 Cr1 Tc2'
_cell_volume   59.41
_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  0.96  0.16  0.74  1.0
  Cr  Cr0  1  0.88  0.0  0.45  1.0
  Tc  Tc2  1  0.05  0.0  0.02  1.0
  Tc  Tc3  1  0.76  0.16  0.29  1.0

data_TaCrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.32
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrTc2
_chemical_formula_sum   'Ta1 Cr1 Tc2'
_cell_volume   59.41
_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  0.96  0.16  0.74  1.0
  Cr  Cr1  1  0.88  0.0  0.45  1.0
  Tc  Tc2  1  0.05  0.0  0.02  1.0
  Tc  Tc3  1  0.76  0.16  0.29  1.0

Ta Cr Tc Tc
Ta Cr Tc Tc 0 1 o o o 0 2 + o + 1 3 o o o 