data_LaMnMoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnMoW
_chemical_formula_sum   'La1 Mn1 Mo1 W1'
_cell_volume   70.18
_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
  La  La0  1  0.64  0.64  0.64  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.27  0.27  0.27  1.0
  W  W3  1  0.91  0.91  0.91  1.0

data_LaMnMoW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaMnMoW
_chemical_formula_sum   'La3 Mn3 Mo3 W3'
_cell_volume   210.53
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  La  La0  3  0.0  0.0  0.36  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Mo  Mo2  3  0.0  0.0  0.73  1.0
  W  W3  3  0.0  0.0  0.09  1.0

La Mn Mo W
La Mn Mo W 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 3 - o o 0 3 o - o 0 3 o o - 0 3 o o o 1 3 - - - 1 2 o o o 1 2 o o - 1 2 o - o 1 2 - o o 2 3 - - o 2 3 - o - 2 3 o - - 
LaWMoMn crystallizes in the trigonal R3m space group. La(1) is bonded in a 10-coordinate geometry to four equivalent W(1), four equivalent Mo(1), and three equivalent Mn(1) atoms. There are three shorter (2.76 Å) and one longer (3.11 Å) La(1)-W(1) bond length. There are three shorter (2.69 Å) and one longer (4.12 Å) La(1)-Mo(1) bond length. All La(1)-Mn(1) bond lengths are 2.69 Å. W(1) is bonded in a single-bond geometry to four equivalent La(1), three equivalent Mo(1), and one Mn(1) atom. All W(1)-Mo(1) bond lengths are 2.69 Å. The W(1)-Mn(1) bond length is 1.01 Å. Mo(1) is bonded in a 11-coordinate geometry to four equivalent La(1), three equivalent W(1), and four equivalent Mn(1) atoms. There are three shorter (2.76 Å) and one longer (3.11 Å) Mo(1)-Mn(1) bond length. Mn(1) is bonded in a single-bond geometry to three equivalent La(1), one W(1), and four equivalent Mo(1) atoms.