data_VSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   137.63
_cell_angle_beta   137.63
_cell_angle_gamma   61.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiAs2
_chemical_formula_sum   'V1 Si1 As2'
_cell_volume   64.13
_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  0.89  0.0  0.25  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.49  1.0
  As  As1  1  0.0  0.89  0.25  1.0

data_VSiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   5.23
_cell_angle_alpha   111.18
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiAs2
_chemical_formula_sum   'V1 Si1 As2'
_cell_volume   64.13
_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  0.25  0.36  0.36  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.36  0.25  0.36  1.0
  As  As3  1  0.49  0.49  0.49  1.0

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