data_VCrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76
_cell_length_b   8.76
_cell_length_c   8.76
_cell_angle_alpha   17.87
_cell_angle_beta   17.87
_cell_angle_gamma   17.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrTc2
_chemical_formula_sum   'V1 Cr1 Tc2'
_cell_volume   55.33
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.93  1.0
  Tc  Tc1  1  0.0  0.0  0.39  1.0
  Tc  Tc2  1  0.0  0.0  0.47  1.0

data_VCrTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   2.72
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   100.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCrTc2
_chemical_formula_sum   'V2 Cr2 Tc4'
_cell_volume   110.66
_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
  V  V0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.07  1.0
  Tc  Tc2  2  0.0  0.0  0.53  1.0
  Tc  Tc3  2  0.0  0.0  0.61  1.0

V Cr Tc Tc
V Cr Tc Tc 0 1 o o - 2 3 o o o 