data_Sr2VCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   3.9
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   94.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VCl
_chemical_formula_sum   'Sr2 V1 Cl1'
_cell_volume   137.28
_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  Sr1  1  0.73  0.95  0.3  1.0
  Sr  Sr2  1  0.62  0.95  0.32  1.0
  V  V3  1  0.68  0.0  0.31  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sr2VCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.08
_cell_length_c   8.65
_cell_angle_alpha   94.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VCl
_chemical_formula_sum   'Sr2 V1 Cl1'
_cell_volume   137.28
_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  0.05  0.27  0.7  1.0
  Sr  Sr1  1  0.05  0.38  0.68  1.0
  V  V2  1  0.0  0.32  0.69  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Sr V Cl
Sr Sr V Cl 0 2 o + o 0 3 + + o 1 2 o + o 1 3 + + o 1 3 o + o 2 3 + o o 2 3 o o o 