data_LaYMnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYMnNi
_chemical_formula_sum   'La1 Y1 Mn1 Ni1'
_cell_volume   75.35
_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  0.68  0.68  0.68  1.0
  Y  Y3  1  0.35  0.35  0.35  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.03  0.03  0.03  1.0

data_LaYMnNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYMnNi
_chemical_formula_sum   'La3 Y3 Mn3 Ni3'
_cell_volume   226.04
_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  0.32  1.0
  Y  Y1  3  0.0  0.0  0.65  1.0
  Mn  Mn2  3  0.0  0.0  0.0  1.0
  Ni  Ni3  3  0.0  0.0  0.97  1.0

La Y Mn Ni
La Y Mn Ni 0 1 o o + 0 1 o + o 0 1 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 2 o + + 0 2 + o + 0 2 + + o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 o o o 
LaYMnNi crystallizes in the trigonal R3m space group. La(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent Mn(1), and three equivalent Ni(1) atoms. There are three shorter (2.74 Å) and one longer (3.76 Å) La(1)-Y(1) bond length. There are three shorter (2.74 Å) and one longer (3.76 Å) La(1)-Mn(1) bond length. All La(1)-Ni(1) bond lengths are 2.75 Å. Y(1) is bonded in a 11-coordinate geometry to four equivalent La(1), three equivalent Mn(1), and four equivalent Ni(1) atoms. All Y(1)-Mn(1) bond lengths are 2.75 Å. There are three shorter (2.74 Å) and one longer (3.76 Å) Y(1)-Ni(1) bond length. Mn(1) is bonded in a single-bond geometry to four equivalent La(1), three equivalent Y(1), and one Ni(1) atom. The Mn(1)-Ni(1) bond length is 0.33 Å. Ni(1) is bonded in a single-bond geometry to three equivalent La(1), four equivalent Y(1), and one Mn(1) atom.