data_MgTiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.09
_cell_length_c   2.78
_cell_angle_alpha   81.75
_cell_angle_beta   75.9
_cell_angle_gamma   22.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiV
_chemical_formula_sum   'Mg1 Ti1 V1'
_cell_volume   51.24
_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
  Mg  Mg0  1  0.68  0.21  0.07  1.0
  Ti  Ti1  1  0.68  0.21  0.38  1.0
  V  V2  1  0.68  0.21  0.33  1.0

data_MgTiV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.36
_cell_length_b   13.77
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   127.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTiV
_chemical_formula_sum   'Mg2 Ti2 V2'
_cell_volume   102.48
_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
  Mg  Mg0  2  0.21  0.0  0.25  1.0
  Ti  Ti1  2  0.21  0.0  0.94  1.0
  V  V2  2  0.21  0.0  0.99  1.0

Mg Ti V
Mg Ti V 0 2 o o o 0 1 o o o 1 2 o o o 