data_Mn2VBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.34
_cell_angle_alpha   113.41
_cell_angle_beta   113.41
_cell_angle_gamma   43.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VBi
_chemical_formula_sum   'Mn2 V1 Bi1'
_cell_volume   64.95
_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
  Mn  Mn1  1  0.19  0.0  0.84  1.0
  Mn  Mn2  1  0.81  0.0  0.92  1.0
  V  V3  1  0.69  0.0  0.08  1.0
  Bi  Bi0  1  0.35  0.0  0.97  1.0

data_Mn2VBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.34
_cell_length_c   4.89
_cell_angle_alpha   113.41
_cell_angle_beta   111.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VBi
_chemical_formula_sum   'Mn2 V1 Bi1'
_cell_volume   64.95
_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
  Mn  Mn0  1  0.0  0.84  0.19  1.0
  Mn  Mn1  1  0.0  0.92  0.81  1.0
  V  V2  1  0.0  0.08  0.69  1.0
  Bi  Bi3  1  0.0  0.97  0.35  1.0

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