data_CaVSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   5.41
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   91.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVSn2
_chemical_formula_sum   'Ca1 V1 Sn2'
_cell_volume   92.33
_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
  Ca  Ca0  1  0.2  0.0  0.15  1.0
  V  V3  1  0.31  0.71  0.87  1.0
  Sn  Sn1  1  0.49  0.71  0.24  1.0
  Sn  Sn2  1  0.5  0.0  0.78  1.0

data_CaVSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.36
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVSn2
_chemical_formula_sum   'Ca1 V1 Sn2'
_cell_volume   92.33
_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
  Ca  Ca0  1  0.8  0.85  0.0  1.0
  V  V1  1  0.69  0.13  0.29  1.0
  Sn  Sn2  1  0.5  0.22  0.0  1.0
  Sn  Sn3  1  0.51  0.76  0.29  1.0

Ca V Sn Sn
Ca V Sn Sn 0 1 o - - 0 2 o - o 0 3 o o - 1 3 o + o 1 2 o o + 