data_[Sr2Re4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7386]
_cell_length_b [3.0908]
_cell_length_c [5.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrRe2Mo]
_chemical_formula_sum '[Sr2 Re4 Mo2]'
_cell_volume [173.2682]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Re  Re1  4  0.2165  0.5000  0.6438  1
  Mo  Mo2  2  0.0000  0.0000  0.5000  1
]