data_LaTaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaMo
_chemical_formula_sum   'La1 Ta1 Mo1'
_cell_volume   72.09
_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
  La  La0  1  0.3  0.3  0.3  1.0
  Ta  Ta2  1  0.65  0.65  0.65  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_LaTaMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTaMo
_chemical_formula_sum   'La3 Ta3 Mo3'
_cell_volume   216.26
_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  0.7  1.0
  Ta  Ta1  3  0.0  0.0  0.35  1.0
  Mo  Mo2  3  0.0  0.0  0.0  1.0

La Ta Mo
La Ta Mo 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o + + 1 2 + o + 1 2 + + o 
LaTaMo crystallizes in the trigonal R3m space group. La(1) is bonded to three equivalent Ta(1) and four equivalent Mo(1) atoms to form distorted LaTa3Mo4 hexagonal pyramids that share corners with three equivalent Mo(1)La4Ta3 hexagonal pyramids, corners with six equivalent La(1)Ta3Mo4 hexagonal pyramids, edges with three equivalent Mo(1)La4Ta3 hexagonal pyramids, and edges with six equivalent La(1)Ta3Mo4 hexagonal pyramids. All La(1)-Ta(1) bond lengths are 2.70 Å. There are three shorter (2.72 Å) and one longer (3.47 Å) La(1)-Mo(1) bond length. Ta(1) is bonded in a distorted hexagonal planar geometry to three equivalent La(1) and three equivalent Mo(1) atoms. All Ta(1)-Mo(1) bond lengths are 2.70 Å. Mo(1) is bonded to four equivalent La(1) and three equivalent Ta(1) atoms to form distorted MoLa4Ta3 hexagonal pyramids that share corners with three equivalent La(1)Ta3Mo4 hexagonal pyramids, corners with six equivalent Mo(1)La4Ta3 hexagonal pyramids, edges with three equivalent La(1)Ta3Mo4 hexagonal pyramids, and edges with six equivalent Mo(1)La4Ta3 hexagonal pyramids.