data_V3Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Sb5
_chemical_formula_sum   'V6 Sb10'
_cell_volume   341.53
_cell_formula_units_Z   2
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
  V  V10  1  0.37  0.83  0.41  1.0
  V  V11  1  0.54  0.27  0.47  1.0
  V  V12  1  0.46  0.27  0.41  1.0
  V  V13  1  0.26  0.0  0.41  1.0
  V  V14  1  0.93  0.0  0.47  1.0
  V  V15  1  0.63  0.83  0.47  1.0
  Sb  Sb0  1  0.09  0.36  0.94  1.0
  Sb  Sb1  1  0.0  0.73  0.0  1.0
  Sb  Sb2  1  0.0  0.73  0.94  1.0
  Sb  Sb3  1  0.09  0.36  0.0  1.0
  Sb  Sb4  1  0.94  0.29  0.41  1.0
  Sb  Sb5  1  0.96  0.8  0.47  1.0
  Sb  Sb6  1  0.04  0.8  0.41  1.0
  Sb  Sb7  1  0.11  0.0  0.41  1.0
  Sb  Sb8  1  0.08  0.0  0.47  1.0
  Sb  Sb9  1  0.06  0.29  0.47  1.0

data_V3Sb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Sb5
_chemical_formula_sum   'V6 Sb10'
_cell_volume   341.53
_cell_formula_units_Z   2
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
  V  V0  1  0.41  0.26  0.0  1.0
  V  V1  1  0.41  0.37  0.83  1.0
  V  V2  1  0.41  0.46  0.27  1.0
  V  V3  1  0.47  0.54  0.27  1.0
  V  V4  1  0.47  0.63  0.83  1.0
  V  V5  1  0.47  0.93  0.0  1.0
  Sb  Sb6  1  0.0  0.0  0.73  1.0
  Sb  Sb7  1  0.0  0.09  0.36  1.0
  Sb  Sb8  1  0.41  0.04  0.8  1.0
  Sb  Sb9  1  0.41  0.11  0.0  1.0
  Sb  Sb10  1  0.41  0.94  0.29  1.0
  Sb  Sb11  1  0.47  0.06  0.29  1.0
  Sb  Sb12  1  0.47  0.08  0.0  1.0
  Sb  Sb13  1  0.47  0.96  0.8  1.0
  Sb  Sb14  1  0.94  0.0  0.73  1.0
  Sb  Sb15  1  0.94  0.09  0.36  1.0

V V V V V V Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb