data_Mg2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   37.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2OsSe
_chemical_formula_sum   'Mg2 Os1 Se1'
_cell_volume   72.22
_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  0.02  0.0  0.3  1.0
  Mg  Mg1  1  0.0  0.0  0.07  1.0
  Os  Os2  1  0.02  0.0  0.85  1.0
  Se  Se3  1  0.0  0.0  0.29  1.0

data_Mg2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.03
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   108.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2OsSe
_chemical_formula_sum   'Mg2 Os1 Se1'
_cell_volume   72.22
_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  0.7  0.02  0.7  1.0
  Mg  Mg1  1  0.93  0.0  0.93  1.0
  Os  Os2  1  0.15  0.02  0.15  1.0
  Se  Se3  1  0.71  0.0  0.71  1.0

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