data_Ba2MgV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   122.67
_cell_angle_beta   122.67
_cell_angle_gamma   85.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgV
_chemical_formula_sum   'Ba2 Mg1 V1'
_cell_volume   133.5
_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
  Ba  Ba0  1  0.0  0.0  0.28  1.0
  Ba  Ba1  1  0.0  0.79  0.14  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.79  0.0  0.14  1.0

data_Ba2MgV
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.82
_cell_angle_alpha   118.67
_cell_angle_beta   118.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgV
_chemical_formula_sum   'Ba2 Mg1 V1'
_cell_volume   133.5
_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
  Ba  Ba0  1  0.28  0.28  0.28  1.0
  Ba  Ba1  1  0.35  0.14  0.35  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.14  0.35  0.35  1.0

Ba Ba Mg V
Ba Ba Mg V 0 3 - o o 0 1 o - o 0 2 o o o 1 2 o + o 2 3 - o o 