data_HfV2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   145.6
_cell_angle_beta   130.99
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Os
_chemical_formula_sum   'Hf1 V2 Os1'
_cell_volume   62.43
_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  0.0  1.0
  V  V2  1  0.56  0.0  0.38  1.0
  V  V3  1  0.0  0.19  0.17  1.0
  Os  Os1  1  0.0  0.0  0.55  1.0

data_HfV2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.39
_cell_length_c   5.29
_cell_angle_alpha   114.51
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Os
_chemical_formula_sum   'Hf1 V2 Os1'
_cell_volume   62.43
_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  0.0  1.0
  V  V1  1  0.0  0.38  0.81  1.0
  V  V2  1  0.81  0.98  0.98  1.0
  Os  Os3  1  0.0  0.55  0.55  1.0

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