data_Mo4Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo4Os3
_chemical_formula_sum   'Mo4 Os3'
_cell_volume   109.7
_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  0.0  0.0  0.69  1.0
  Mo  Mo1  1  0.0  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.95  0.0  1.0
  Mo  Mo3  1  0.55  0.47  0.0  1.0
  Os  Os4  1  0.55  0.0  0.43  1.0
  Os  Os5  1  0.72  0.21  0.43  1.0
  Os  Os6  1  0.28  0.21  0.43  1.0

data_Mo4Os3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo4Os3
_chemical_formula_sum   'Mo4 Os3'
_cell_volume   109.7
_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  0.0  0.0  0.95  1.0
  Mo  Mo1  1  0.0  0.55  0.47  1.0
  Mo  Mo2  1  0.17  0.0  0.0  1.0
  Mo  Mo3  1  0.69  0.0  0.0  1.0
  Os  Os4  1  0.43  0.28  0.21  1.0
  Os  Os5  1  0.43  0.55  0.0  1.0
  Os  Os6  1  0.43  0.72  0.21  1.0

Mo Mo Mo Mo Os Os Os