data_VCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.64
_cell_angle_alpha   108.4
_cell_angle_beta   108.4
_cell_angle_gamma   31.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Si
_chemical_formula_sum   'V1 Cu2 Si1'
_cell_volume   51.09
_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
  V  V3  1  0.49  0.0  0.38  1.0
  Cu  Cu0  1  0.53  0.0  0.15  1.0
  Cu  Cu1  1  0.88  0.0  0.48  1.0
  Si  Si2  1  0.01  0.0  0.94  1.0

data_VCu2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.64
_cell_length_c   4.72
_cell_angle_alpha   108.4
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Si
_chemical_formula_sum   'V1 Cu2 Si1'
_cell_volume   51.09
_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
  V  V0  1  0.0  0.38  0.49  1.0
  Cu  Cu1  1  0.0  0.15  0.53  1.0
  Cu  Cu2  1  0.0  0.48  0.88  1.0
  Si  Si3  1  0.0  0.94  0.01  1.0

V Cu Cu Si
V Cu Cu Si 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 o o - 2 3 + o o 3 3 + - o 