data_ScTlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   146.22
_cell_angle_beta   142.46
_cell_angle_gamma   51.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlV
_chemical_formula_sum   'Sc1 Tl1 V1'
_cell_volume   59.27
_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  0.99  1.0
  Tl  Tl1  1  0.0  0.0  0.83  1.0
  V  V2  1  0.0  0.0  0.37  1.0

data_ScTlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.61
_cell_length_c   5.6
_cell_angle_alpha   108.77
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlV
_chemical_formula_sum   'Sc1 Tl1 V1'
_cell_volume   59.27
_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  0.01  0.01  0.01  1.0
  Tl  Tl1  1  0.17  0.17  0.17  1.0
  V  V2  1  0.63  0.63  0.63  1.0

Sc Tl V
Sc Tl V 0 1 o o o 0 2 o o + 1 2 o o o 