data_BaMnV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.69
_cell_angle_alpha   108.13
_cell_angle_beta   108.13
_cell_angle_gamma   53.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnV2
_chemical_formula_sum   'Ba1 Mn1 V2'
_cell_volume   88.59
_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  0.6  0.0  0.14  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.27  0.0  0.72  1.0
  V  V3  1  0.93  0.0  0.55  1.0

data_BaMnV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.2
_cell_length_c   6.69
_cell_angle_alpha   108.13
_cell_angle_beta   90.0
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnV2
_chemical_formula_sum   'Ba1 Mn1 V2'
_cell_volume   88.59
_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  0.4  0.86  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.07  0.45  1.0
  V  V3  1  0.0  0.73  0.28  1.0

Ba Mn V V