data_Mo2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   31.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2OsSe
_chemical_formula_sum   'Mo2 Os1 Se1'
_cell_volume   62.21
_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
  Mo  Mo0  1  0.05  0.0  0.65  1.0
  Mo  Mo1  1  0.0  0.0  0.95  1.0
  Os  Os2  1  0.05  0.0  0.89  1.0
  Se  Se3  1  0.0  0.0  0.42  1.0

data_Mo2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.09
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2OsSe
_chemical_formula_sum   'Mo2 Os1 Se1'
_cell_volume   62.21
_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
  Mo  Mo0  1  0.05  0.0  0.05  1.0
  Mo  Mo1  1  0.35  0.05  0.35  1.0
  Os  Os2  1  0.11  0.05  0.11  1.0
  Se  Se3  1  0.58  0.0  0.58  1.0

Mo Mo Os Se