data_VSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSi2Bi
_chemical_formula_sum   'V1 Si2 Bi1'
_cell_volume   76.83
_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  0.44  1.0
  Si  Si1  1  0.0  0.0  0.97  1.0
  Si  Si2  1  0.19  0.0  0.64  1.0
  Bi  Bi0  1  0.19  0.0  0.31  1.0

data_VSi2Bi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VSi2Bi
_chemical_formula_sum   'V1 Si2 Bi1'
_cell_volume   76.88
_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  0.0  0.44  1.0
  Si  Si1  1  0.0  0.0  0.97  1.0
  Si  Si2  1  0.19  0.0  0.64  1.0
  Bi  Bi3  1  0.19  0.0  0.31  1.0

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