data_[Ga12Cu2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [7.6691]
_cell_length_b [5.4094]
_cell_length_c [7.7426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga6CuMo]
_chemical_formula_sum '[Ga12 Cu2 Mo2]'
_cell_volume [287.8258]
_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
[
  Ga  Ga0  8  0.1999  0.2488  0.3130  1
  Ga  Ga1  4  0.1429  0.5000  0.9495  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Mo  Mo3  2  0.0000  0.0000  0.0000  1
]