data_OsW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.7
_cell_angle_alpha   105.01
_cell_angle_beta   105.01
_cell_angle_gamma   35.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2Se
_chemical_formula_sum   'Os1 W2 Se1'
_cell_volume   62.98
_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
  Os  Os0  1  0.99  0.0  0.49  1.0
  W  W2  1  0.0  0.0  0.26  1.0
  W  W3  1  0.37  0.0  0.07  1.0
  Se  Se1  1  0.76  0.0  0.96  1.0

data_OsW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.7
_cell_length_c   4.91
_cell_angle_alpha   105.01
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2Se
_chemical_formula_sum   'Os1 W2 Se1'
_cell_volume   62.98
_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
  Os  Os0  1  0.0  0.49  0.99  1.0
  W  W1  1  0.0  0.07  0.37  1.0
  W  W2  1  0.0  0.26  0.0  1.0
  Se  Se3  1  0.0  0.96  0.76  1.0

Os W W Se
Os W W Se 0 1 + o o 1 2 o o o 1 3 - o - 2 3 o o - 