data_BaMgV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   146.03
_cell_angle_beta   146.03
_cell_angle_gamma   48.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgV
_chemical_formula_sum   'Ba1 Mg1 V1'
_cell_volume   91.3
_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  0.05  1.0
  Mg  Mg1  1  0.0  0.0  0.55  1.0
  V  V2  1  0.0  0.0  0.51  1.0

data_BaMgV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   114.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMgV
_chemical_formula_sum   'Ba2 Mg2 V2'
_cell_volume   182.6
_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
  Ba  Ba0  2  0.0  0.0  0.95  1.0
  Mg  Mg1  2  0.0  0.0  0.45  1.0
  V  V2  2  0.0  0.0  0.49  1.0

Ba Mg V