data_SrCaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   4.62
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaV2
_chemical_formula_sum   'Sr1 Ca1 V2'
_cell_volume   117.09
_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  0.0  0.0  0.56  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.78  0.31  0.74  1.0
  V  V3  1  0.78  0.31  0.39  1.0

data_SrCaV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.62
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaV2
_chemical_formula_sum   'Sr1 Ca1 V2'
_cell_volume   117.09
_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  0.0  0.0  0.56  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.78  0.31  0.39  1.0
  V  V3  1  0.78  0.31  0.74  1.0

Sr Ca V V
Sr Ca V V 0 3 - o o 0 2 - o o 1 2 - o - 2 3 o o o 