data_Sr2VIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   130.45
_cell_angle_beta   125.51
_cell_angle_gamma   76.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VIn
_chemical_formula_sum   'Sr2 V1 In1'
_cell_volume   123.62
_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  0.7  0.34  1.0
  Sr  Sr2  1  0.47  0.0  0.28  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.63  1.0

data_Sr2VIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   5.4
_cell_length_c   5.9
_cell_angle_alpha   117.25
_cell_angle_beta   114.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VIn
_chemical_formula_sum   'Sr2 V1 In1'
_cell_volume   123.62
_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  0.28  0.81  1.0
  Sr  Sr1  1  0.3  0.64  0.64  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.63  0.63  1.0

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