data_HfV2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Os
_chemical_formula_sum   'Hf1 V2 Os1'
_cell_volume   62.05
_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  0.0  0.0  0.24  1.0
  V  V2  1  0.0  0.0  0.49  1.0
  V  V3  1  0.57  0.0  0.58  1.0
  Os  Os1  1  0.57  0.0  0.97  1.0

data_HfV2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Os
_chemical_formula_sum   'Hf1 V2 Os1'
_cell_volume   62.05
_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  0.0  0.0  0.24  1.0
  V  V1  1  0.0  0.0  0.49  1.0
  V  V2  1  0.57  0.0  0.58  1.0
  Os  Os3  1  0.57  0.0  0.97  1.0

Hf V V Os
Hf V V Os 0 3 - o - 0 3 o o - 0 0 o + o 0 0 + o o 0 1 o o o 1 2 - o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 