data_BaY2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.74
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   35.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2V
_chemical_formula_sum   'Ba1 Y2 V1'
_cell_volume   122.84
_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  0.77  0.0  0.32  1.0
  Y  Y2  1  0.0  0.0  0.33  1.0
  Y  Y3  1  0.54  0.0  0.3  1.0
  V  V1  1  0.0  0.0  0.0  1.0

data_BaY2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.64
_cell_length_c   6.74
_cell_angle_alpha   99.67
_cell_angle_beta   90.0
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2V
_chemical_formula_sum   'Ba1 Y2 V1'
_cell_volume   122.84
_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  0.23  0.68  1.0
  Y  Y1  1  0.0  0.46  0.7  1.0
  Y  Y2  1  0.0  1.0  0.67  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Ba Y Y V
Ba Y Y V 0 2 o o o 0 1 + o o 1 3 o o o 