data_Sr5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Mo
_chemical_formula_sum   'Sr5 Mo1'
_cell_volume   266.06
_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
  Sr  Sr1  1  0.82  0.0  0.15  1.0
  Sr  Sr2  1  0.08  0.87  0.15  1.0
  Sr  Sr3  1  0.59  0.18  0.15  1.0
  Sr  Sr4  1  0.49  0.02  0.0  1.0
  Sr  Sr5  1  0.0  0.03  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Sr5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.3
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Mo
_chemical_formula_sum   'Sr5 Mo1'
_cell_volume   266.06
_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
  Sr  Sr0  1  0.0  0.0  0.03  1.0
  Sr  Sr1  1  0.0  0.49  0.02  1.0
  Sr  Sr2  1  0.15  0.08  0.87  1.0
  Sr  Sr3  1  0.15  0.59  0.18  1.0
  Sr  Sr4  1  0.15  0.82  0.0  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Sr Mo
Sr Sr Sr Sr Sr Mo 0 5 + o o 0 4 + o o 1 5 o + o 1 4 o + o 2 3 o o o 4 5 o o o 