data_V6CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V6CoIr
_chemical_formula_sum   'V6 Co1 Ir1'
_cell_volume   105.2
_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
  V  V0  1  0.36  0.0  0.16  1.0
  V  V1  1  0.0  0.56  0.36  1.0
  V  V2  1  0.16  0.36  0.0  1.0
  V  V3  1  0.36  0.0  0.56  1.0
  V  V4  1  0.0  0.16  0.36  1.0
  V  V5  1  0.56  0.36  0.0  1.0
  Co  Co6  1  0.0  0.0  0.0  1.0
  Ir  Ir7  1  0.36  0.36  0.36  1.0

data_V6CoIr
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   V6CoIr
_chemical_formula_sum   'V18 Co3 Ir3'
_cell_volume   315.6
_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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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
  V  V0  9  0.03  0.61  0.97  1.0
  V  V1  9  0.16  0.48  0.84  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Ir  Ir3  3  0.0  0.0  0.36  1.0

V V V V V V Co Ir