data_CaVSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   6.14
_cell_angle_alpha   104.84
_cell_angle_beta   104.84
_cell_angle_gamma   45.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVSn2
_chemical_formula_sum   'Ca1 V1 Sn2'
_cell_volume   99.0
_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  0.0  0.0  0.0  1.0
  V  V3  1  0.6  0.0  0.95  1.0
  Sn  Sn1  1  0.9  0.0  0.02  1.0
  Sn  Sn2  1  0.31  0.0  0.88  1.0

data_CaVSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.84
_cell_length_c   6.14
_cell_angle_alpha   104.84
_cell_angle_beta   90.0
_cell_angle_gamma   112.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVSn2
_chemical_formula_sum   'Ca1 V1 Sn2'
_cell_volume   99.0
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.4  0.05  1.0
  Sn  Sn2  1  0.0  0.1  0.98  1.0
  Sn  Sn3  1  0.0  0.69  0.12  1.0

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