data_MgV2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.62
_cell_angle_alpha   99.49
_cell_angle_beta   99.49
_cell_angle_gamma   118.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Os
_chemical_formula_sum   'Mg1 V2 Os1'
_cell_volume   57.87
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.9  0.8  0.24  1.0
  V  V3  1  0.9  0.2  0.24  1.0
  Os  Os1  1  0.65  0.0  0.0  1.0

data_MgV2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.1
_cell_length_c   5.14
_cell_angle_alpha   116.73
_cell_angle_beta   99.49
_cell_angle_gamma   100.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Os
_chemical_formula_sum   'Mg1 V2 Os1'
_cell_volume   57.87
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.03  0.8  0.7  1.0
  V  V2  1  0.44  0.2  0.11  1.0
  Os  Os3  1  0.0  0.0  0.65  1.0

Mg V V Os
Mg V V Os 0 2 - o o 0 1 - - o 2 3 o o o 