data_MgVBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   138.92
_cell_angle_beta   138.92
_cell_angle_gamma   59.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVBi2
_chemical_formula_sum   'Mg1 V1 Bi2'
_cell_volume   97.68
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.14  0.0  0.65  1.0
  Bi  Bi0  1  0.0  0.0  0.31  1.0
  Bi  Bi1  1  0.0  0.14  0.65  1.0

data_MgVBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   6.11
_cell_angle_alpha   110.54
_cell_angle_beta   110.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVBi2
_chemical_formula_sum   'Mg1 V1 Bi2'
_cell_volume   97.68
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.35  0.0  0.49  1.0
  Bi  Bi2  1  0.49  0.14  0.49  1.0
  Bi  Bi3  1  0.69  0.0  0.69  1.0

Mg V Bi Bi
Mg V Bi Bi 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 