data_ScMnV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnV2
_chemical_formula_sum   'Sc1 Mn1 V2'
_cell_volume   58.06
_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  Sc1  1  0.0  0.0  0.28  1.0
  Mn  Mn0  1  0.52  0.0  0.43  1.0
  V  V2  1  0.52  0.0  0.2  1.0
  V  V3  1  0.0  0.0  0.2  1.0

data_ScMnV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnV2
_chemical_formula_sum   'Sc1 Mn1 V2'
_cell_volume   58.06
_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  0.28  1.0
  Mn  Mn1  1  0.52  0.0  0.43  1.0
  V  V2  1  0.0  0.0  0.2  1.0
  V  V3  1  0.52  0.0  0.2  1.0

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