data_HfV2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   142.92
_cell_angle_beta   126.35
_cell_angle_gamma   67.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Co
_chemical_formula_sum   'Hf1 V2 Co1'
_cell_volume   59.6
_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
  Hf  Hf1  1  0.59  0.0  0.16  1.0
  V  V2  1  0.0  0.0  0.22  1.0
  V  V3  1  0.0  0.25  0.03  1.0
  Co  Co0  1  0.0  0.0  0.25  1.0

data_HfV2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.51
_cell_length_c   4.99
_cell_angle_alpha   116.82
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Co
_chemical_formula_sum   'Hf1 V2 Co1'
_cell_volume   59.6
_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
  Hf  Hf0  1  0.43  0.84  0.43  1.0
  V  V1  1  0.78  0.78  0.78  1.0
  V  V2  1  0.97  0.23  0.23  1.0
  Co  Co3  1  0.75  0.75  0.75  1.0

Hf V V Co
Hf V V Co 0 3 + o o 0 1 + o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 