data_[Mn2Cu12Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1818]
_cell_length_b [6.1342]
_cell_length_c [8.4534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MnCu6Sn]
_chemical_formula_sum '[Mn2 Cu12 Sn2]'
_cell_volume [216.8477]
_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  0.0000  0.8779  1.0
  Cu  Cu1  4  0.0000  0.2075  0.1508  1.0
  Cu  Cu2  4  0.5000  0.2154  0.3518  1.0
  Cu  Cu3  2  0.0000  0.0000  0.4133  1.0
  Cu  Cu4  2  0.5000  0.0000  0.0793  1.0
  Sn  Sn5  2  0.5000  0.0000  0.6246  1.0
]