data_VCr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Si
_chemical_formula_sum   'V1 Cr2 Si1'
_cell_volume   48.63
_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  0.9  1.0
  Cr  Cr0  1  0.49  0.0  0.92  1.0
  Cr  Cr1  1  0.49  0.0  0.88  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_VCr2Si
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.57
_cell_length_b   7.8
_cell_length_c   2.57
_cell_angle_alpha   90.0
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   VCr2Si
_chemical_formula_sum   'V1 Cr2 Si1'
_cell_volume   48.63
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.1  0.0  1.0
  Cr  Cr1  1  0.5  0.08  0.0  1.0
  Cr  Cr2  1  0.5  0.12  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

V Cr Cr Si
V Cr Cr Si 0 3 o o + 1 2 o o o 