data_Mg2MnV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnV
_chemical_formula_sum   'Mg2 Mn1 V1'
_cell_volume   65.27
_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  0.52  0.52  0.84  1.0
  Mg  Mg1  1  0.0  0.0  0.05  1.0
  Mn  Mn2  1  0.52  0.52  0.9  1.0
  V  V3  1  0.0  0.0  0.87  1.0

data_Mg2MnV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2MnV
_chemical_formula_sum   'Mg4 Mn2 V2'
_cell_volume   130.55
_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  0.0  0.0  0.05  1.0
  Mg  Mg1  2  0.02  0.5  0.84  1.0
  Mn  Mn2  2  0.02  0.5  0.9  1.0
  V  V3  2  0.0  0.0  0.87  1.0

Mg Mg Mn V
Mg Mg Mn V 0 2 o o o 1 3 o o - 