data_TaV2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Tc
_chemical_formula_sum   'Ta1 V2 Tc1'
_cell_volume   59.3
_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  0.54  0.54  0.11  1.0
  V  V2  1  0.54  0.54  0.0  1.0
  V  V3  1  0.0  0.0  0.48  1.0
  Tc  Tc1  1  0.0  0.0  0.74  1.0

data_TaV2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaV2Tc
_chemical_formula_sum   'Ta2 V4 Tc2'
_cell_volume   118.6
_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  0.04  0.5  0.11  1.0
  V  V1  2  0.0  0.0  0.48  1.0
  V  V2  2  0.04  0.5  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.74  1.0

Ta V V Tc
Ta V V Tc 0 1 o o o 2 3 o o o 