data_MnCo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2W
_chemical_formula_sum   'Mn1 Co2 W1'
_cell_volume   50.09
_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  0.0  0.0  0.0  1.0
  Co  Co0  1  0.4  0.4  0.9  1.0
  Co  Co1  1  0.4  0.4  0.47  1.0
  W  W3  1  0.0  0.0  0.18  1.0

data_MnCo2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCo2W
_chemical_formula_sum   'Mn2 Co4 W2'
_cell_volume   100.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.4  0.0  0.47  1.0
  Co  Co2  2  0.4  0.0  0.9  1.0
  W  W3  2  0.0  0.0  0.18  1.0

Mn Co Co W
Mn Co Co W 0 3 o o o 0 1 o o - 0 1 o - - 0 1 - o - 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
WMnCo2 crystallizes in the monoclinic Cm space group. W(1) is bonded in a single-bond geometry to one Mn(1) and four equivalent Co(2) atoms. The W(1)-Mn(1) bond length is 1.17 Å. There are a spread of W(1)-Co(2) bond distances ranging from 2.41-2.98 Å. Mn(1) is bonded in a distorted single-bond geometry to one W(1) and three equivalent Co(1) atoms. There is one shorter (1.72 Å) and two longer (2.12 Å) Mn(1)-Co(1) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) and one Co(2) atom. The Co(1)-Co(2) bond length is 2.77 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to four equivalent W(1), one Co(1), and four equivalent Co(2) atoms. All Co(2)-Co(2) bond lengths are 2.80 Å.