data_BaMg2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   151.61
_cell_angle_beta   132.6
_cell_angle_gamma   56.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2V
_chemical_formula_sum   'Ba1 Mg2 V1'
_cell_volume   102.8
_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  0.88  1.0
  Mg  Mg1  1  0.63  0.0  0.44  1.0
  Mg  Mg2  1  0.0  0.68  0.44  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_BaMg2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.36
_cell_length_c   6.66
_cell_angle_alpha   113.7
_cell_angle_beta   104.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2V
_chemical_formula_sum   'Ba1 Mg2 V1'
_cell_volume   102.8
_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  0.88  0.88  1.0
  Mg  Mg1  1  0.0  0.44  0.8  1.0
  Mg  Mg2  1  0.32  0.76  0.76  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Ba Mg Mg V