data_MnBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBi2P
_chemical_formula_sum   'Mn1 Bi2 P1'
_cell_volume   85.67
_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  Mn2  1  0.24  0.0  0.54  1.0
  Bi  Bi0  1  0.24  0.0  0.62  1.0
  Bi  Bi1  1  0.0  0.0  0.66  1.0
  P  P3  1  0.0  0.0  0.75  1.0

data_MnBi2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnBi2P
_chemical_formula_sum   'Mn1 Bi2 P1'
_cell_volume   85.68
_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
  Mn  Mn0  1  0.24  0.0  0.54  1.0
  Bi  Bi1  1  0.0  0.0  0.66  1.0
  Bi  Bi2  1  0.24  0.0  0.62  1.0
  P  P3  1  0.0  0.0  0.75  1.0

Mn Bi Bi P
MnBi2P crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one MnBi2P cluster. Mn(1) is bonded in a single-bond geometry to one Bi(1) atom. The Mn(1)-Bi(1) bond length is 0.65 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 0.85 Å. In the second Bi site, Bi(2) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. The Bi(2)-P(1) bond length is 0.69 Å. P(1) is bonded in a single-bond geometry to one Bi(2) atom.