data_ScVZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.86
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVZn2
_chemical_formula_sum   'Sc1 V1 Zn2'
_cell_volume   64.75
_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  0.96  0.0  0.92  1.0
  Zn  Zn2  1  0.38  0.93  0.24  1.0
  Zn  Zn3  1  0.41  0.93  0.61  1.0

data_ScVZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.86
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVZn2
_chemical_formula_sum   'Sc1 V1 Zn2'
_cell_volume   64.75
_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  0.96  0.0  0.92  1.0
  Zn  Zn2  1  0.38  0.93  0.24  1.0
  Zn  Zn3  1  0.41  0.93  0.61  1.0

Sc V Zn Zn
Sc V Zn Zn 0 1 - o - 0 2 o - o 0 3 o - - 1 2 + - + 1 3 + - o 1 3 o - o 2 3 o o o 