data_ScV2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.21
_cell_angle_alpha   95.17
_cell_angle_beta   95.17
_cell_angle_gamma   33.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Zn
_chemical_formula_sum   'Sc1 V2 Zn1'
_cell_volume   64.14
_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  0.72  0.0  0.35  1.0
  V  V1  1  0.45  0.0  0.95  1.0
  V  V2  1  0.79  0.0  0.04  1.0
  Zn  Zn3  1  0.32  0.0  0.64  1.0

data_ScV2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.71
_cell_length_c   5.21
_cell_angle_alpha   95.17
_cell_angle_beta   90.0
_cell_angle_gamma   106.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Zn
_chemical_formula_sum   'Sc1 V2 Zn1'
_cell_volume   64.14
_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  0.28  0.65  1.0
  V  V1  1  0.0  0.21  0.96  1.0
  V  V2  1  0.0  0.55  0.05  1.0
  Zn  Zn3  1  0.0  0.68  0.36  1.0

Sc V V Zn