data_VCr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   142.71
_cell_angle_beta   128.76
_cell_angle_gamma   65.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Si
_chemical_formula_sum   'V1 Cr2 Si1'
_cell_volume   47.95
_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  0.95  1.0
  Cr  Cr0  1  0.5  0.0  0.04  1.0
  Cr  Cr1  1  0.0  0.03  0.91  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_VCr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.05
_cell_length_c   4.69
_cell_angle_alpha   115.62
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Si
_chemical_formula_sum   'V1 Cr2 Si1'
_cell_volume   47.95
_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  0.95  0.95  1.0
  Cr  Cr1  1  0.0  0.04  0.54  1.0
  Cr  Cr2  1  0.97  0.88  0.88  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 + 0 1 o o + 0 2 o o o 1 3 o o o 1 2 o o - 