data_[Sr8Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [12.3472]
_cell_length_b [12.3472]
_cell_length_c [3.4438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [SrMo]
_chemical_formula_sum '[Sr8 Mo8]'
_cell_volume [525.0158]
_cell_formula_units_Z [8]
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  4  0.0560  0.2677  0.0000  1
  Sr  Sr1  4  0.3113  0.4176  0.5000  1
  Mo  Mo2  4  0.0910  0.5489  0.5000  1
  Mo  Mo3  4  0.1887  0.6436  0.0000  1
]