data_MnV2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   141.4
_cell_angle_beta   128.97
_cell_angle_gamma   65.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Bi
_chemical_formula_sum   'Mn1 V2 Bi1'
_cell_volume   61.27
_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  0.0  0.0  0.46  1.0
  V  V2  1  0.0  0.17  0.2  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.17  0.03  1.0

data_MnV2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.34
_cell_length_c   5.04
_cell_angle_alpha   115.51
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Bi
_chemical_formula_sum   'Mn1 V2 Bi1'
_cell_volume   61.27
_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  0.54  0.54  0.54  1.0
  V  V1  1  0.8  0.97  0.97  1.0
  V  V2  1  1.0  1.0  1.0  1.0
  Bi  Bi3  1  0.97  0.14  0.14  1.0

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