data_VCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   132.26
_cell_angle_beta   132.26
_cell_angle_gamma   69.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrIn2
_chemical_formula_sum   'V1 Cr1 In2'
_cell_volume   73.82
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.09  0.0  0.12  1.0
  In  In1  1  0.0  0.0  0.23  1.0
  In  In2  1  0.0  0.09  0.12  1.0

data_VCrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.16
_cell_angle_alpha   113.87
_cell_angle_beta   113.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrIn2
_chemical_formula_sum   'V1 Cr1 In2'
_cell_volume   73.82
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.88  0.0  0.97  1.0
  In  In2  1  0.77  0.0  0.77  1.0
  In  In3  1  0.97  0.09  0.97  1.0

V Cr In In
V Cr In In 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 