data_[Mn2Ga4Cu16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3223]
_cell_length_b [3.7206]
_cell_length_c [5.9100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(GaCu4)2]
_chemical_formula_sum '[Mn2 Ga4 Cu16]'
_cell_volume [280.7617]
_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
[
  Mn  Mn0  2  0.0000  0.5000  0.0000  1
  Ga  Ga1  4  0.2245  0.0000  0.6514  1
  Cu  Cu2  4  0.0439  0.0000  0.7281  1
  Cu  Cu3  4  0.0905  0.5000  0.4580  1
  Cu  Cu4  4  0.1368  0.0000  0.1887  1
  Cu  Cu5  4  0.1798  0.5000  0.9123  1
]