data_Lu4Ge6Os7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4Ge6Os7
_chemical_formula_sum   'Lu4 Ge6 Os7'
_cell_volume   287.34
_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
  Lu  Lu0  1  0.08  0.08  0.92  1.0
  Lu  Lu1  1  0.08  0.92  0.08  1.0
  Lu  Lu2  1  0.92  0.08  0.08  1.0
  Lu  Lu3  1  0.08  0.08  0.08  1.0
  Ge  Ge4  1  0.0  0.0  0.74  1.0
  Ge  Ge5  1  0.0  0.58  0.0  1.0
  Ge  Ge6  1  0.58  0.0  0.0  1.0
  Ge  Ge7  1  0.0  0.0  0.58  1.0
  Ge  Ge8  1  0.0  0.74  0.0  1.0
  Ge  Ge9  1  0.74  0.0  0.0  1.0
  Os  Os10  1  0.0  0.16  0.08  1.0
  Os  Os11  1  0.0  0.08  0.16  1.0
  Os  Os12  1  0.08  0.16  0.0  1.0
  Os  Os13  1  0.16  0.08  0.0  1.0
  Os  Os14  1  0.16  0.0  0.08  1.0
  Os  Os15  1  0.08  0.0  0.16  1.0
  Os  Os16  1  0.0  0.0  0.0  1.0

data_Lu4Ge6Os7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.76
_cell_length_b   11.76
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Lu4Ge6Os7
_chemical_formula_sum   'Lu12 Ge18 Os21'
_cell_volume   862.03
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Lu  Lu0  9  0.05  0.1  0.03  1.0
  Lu  Lu1  3  0.0  0.0  0.08  1.0
  Ge  Ge2  9  0.05  0.53  0.53  1.0
  Ge  Ge3  9  0.09  0.17  0.91  1.0
  Os  Os4  18  -0.0  0.08  0.08  1.0
  Os  Os5  3  0.0  0.0  -0.0  1.0

Lu Lu Lu Lu Ge Ge Ge Ge Ge Ge Os Os Os Os Os Os Os