data_SrVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   7.5
_cell_angle_alpha   105.96
_cell_angle_beta   105.96
_cell_angle_gamma   61.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrVSb2
_chemical_formula_sum   'Sr1 V1 Sb2'
_cell_volume   111.68
_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
  Sr  Sr2  1  0.49  0.0  0.5  1.0
  V  V3  1  0.86  0.0  0.07  1.0
  Sb  Sb0  1  0.02  0.0  0.3  1.0
  Sb  Sb1  1  1.0  0.0  0.8  1.0

data_SrVSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   7.5
_cell_angle_alpha   74.04
_cell_angle_beta   74.04
_cell_angle_gamma   61.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrVSb2
_chemical_formula_sum   'Sr1 V1 Sb2'
_cell_volume   111.68
_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
  Sr  Sr0  1  0.51  0.0  0.5  1.0
  V  V1  1  0.14  0.0  0.07  1.0
  Sb  Sb2  1  0.0  0.0  0.8  1.0
  Sb  Sb3  1  0.98  0.0  0.3  1.0

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