data_[Re4Si4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4157]
_cell_length_b [2.9832]
_cell_length_c [6.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReSiMo]
_chemical_formula_sum '[Re4 Si4 Mo4]'
_cell_volume [177.8816]
_cell_formula_units_Z [4]
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
[
  Si  Si0  4  0.1169  0.0000  0.1522  1.0
  Re  Re1  4  0.1203  0.5000  0.4473  1.0
  Mo  Mo2  4  0.1472  0.0000  0.7961  1.0
]