data_[Cu8Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3456]
_cell_length_b [2.5709]
_cell_length_c [6.2326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2Mo]
_chemical_formula_sum '[Cu8 Mo4]'
_cell_volume [160.6883]
_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
[
  Cu  Cu0  4  0.1463  0.0000  0.5308  1
  Cu  Cu1  4  0.2052  0.0000  0.1446  1
  Mo  Mo2  4  0.0193  0.5000  0.8074  1
]