data_Mn2AlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   19.87
_cell_angle_beta   19.87
_cell_angle_gamma   19.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlV
_chemical_formula_sum   'Mn2 Al1 V1'
_cell_volume   49.61
_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
  Mn  Mn1  1  0.0  0.0  0.49  1.0
  Mn  Mn2  1  0.0  0.0  0.7  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.59  1.0

data_Mn2AlV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   2.72
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   101.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AlV
_chemical_formula_sum   'Mn4 Al2 V2'
_cell_volume   99.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  -0.0  0.0  0.51  1.0
  Mn  Mn1  2  -0.0  0.0  0.3  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  V  V3  2  -0.0  0.0  0.41  1.0

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