data_BaSr2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.53
_cell_length_b   12.53
_cell_length_c   12.53
_cell_angle_alpha   17.84
_cell_angle_beta   17.84
_cell_angle_gamma   17.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2V
_chemical_formula_sum   'Ba1 Sr2 V1'
_cell_volume   161.26
_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  0.49  1.0
  Sr  Sr1  1  0.0  0.0  0.06  1.0
  Sr  Sr2  1  0.0  0.0  0.93  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_BaSr2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.73
_cell_length_b   3.89
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2V
_chemical_formula_sum   'Ba2 Sr4 V2'
_cell_volume   322.53
_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  0.51  1.0
  Sr  Sr1  2  0.0  0.0  0.07  1.0
  Sr  Sr2  2  0.0  0.0  0.94  1.0
  V  V3  2  0.0  0.0  0.0  1.0

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