data_ScV2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Tc
_chemical_formula_sum   'Sc1 V2 Tc1'
_cell_volume   62.14
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.28  0.7  0.32  1.0
  V  V3  1  0.28  0.3  0.32  1.0
  Tc  Tc1  1  0.55  0.0  0.0  1.0

data_ScV2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   5.1
_cell_length_c   5.26
_cell_angle_alpha   119.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Tc
_chemical_formula_sum   'Sc1 V2 Tc1'
_cell_volume   62.14
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.32  0.3  0.58  1.0
  V  V2  1  0.32  0.7  0.98  1.0
  Tc  Tc3  1  0.0  0.0  0.55  1.0

Sc V V Tc