data_MnVOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.56
_cell_angle_alpha   99.54
_cell_angle_beta   99.54
_cell_angle_gamma   33.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVOs2
_chemical_formula_sum   'Mn1 V1 Os2'
_cell_volume   53.5
_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
  Mn  Mn0  1  0.66  0.0  0.4  1.0
  V  V3  1  0.04  0.0  0.27  1.0
  Os  Os1  1  0.04  0.0  0.45  1.0
  Os  Os2  1  0.41  0.0  0.11  1.0

data_MnVOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.56
_cell_length_c   4.63
_cell_angle_alpha   99.54
_cell_angle_beta   106.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVOs2
_chemical_formula_sum   'Mn1 V1 Os2'
_cell_volume   53.5
_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
  Mn  Mn0  1  0.0  0.4  0.66  1.0
  V  V1  1  0.0  0.27  0.04  1.0
  Os  Os2  1  0.0  0.11  0.41  1.0
  Os  Os3  1  0.0  0.45  0.04  1.0

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