data_MnBW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBW2
_chemical_formula_sum   'Mn1 B1 W2'
_cell_volume   50.0
_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  0.64  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.32  0.36  0.45  1.0
  W  W3  1  0.32  0.64  0.45  1.0

data_MnBW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   102.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBW2
_chemical_formula_sum   'Mn1 B1 W2'
_cell_volume   50.0
_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  0.64  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.45  0.32  0.36  1.0
  W  W3  1  0.45  0.32  0.64  1.0

Mn B W W
W2MnB crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 5-coordinate geometry to one W(2), two equivalent Mn(1), and two equivalent B(1) atoms. The W(1)-W(2) bond length is 1.16 Å. There is one shorter (2.58 Å) and one longer (2.75 Å) W(1)-Mn(1) bond length. There is one shorter (2.22 Å) and one longer (2.41 Å) W(1)-B(1) bond length. In the second W site, W(2) is bonded in a 5-coordinate geometry to one W(1), two equivalent Mn(1), and two equivalent B(1) atoms. There is one shorter (2.22 Å) and one longer (2.41 Å) W(2)-Mn(1) bond length. There is one shorter (2.58 Å) and one longer (2.75 Å) W(2)-B(1) bond length. Mn(1) is bonded in a 1-coordinate geometry to two equivalent W(1), two equivalent W(2), and one B(1) atom. The Mn(1)-B(1) bond length is 1.52 Å. B(1) is bonded in a 1-coordinate geometry to two equivalent W(1), two equivalent W(2), and one Mn(1) atom.