data_[Mn2Cu10]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2269]
_cell_length_b [2.5766]
_cell_length_c [13.3531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MnCu5]
_chemical_formula_sum '[Mn2 Cu10]'
_cell_volume [145.4279]
_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  0.5000  0.0000  0.8897  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0003  1.0
  Cu  Cu2  2  0.0000  0.0000  0.3309  1.0
  Cu  Cu3  2  0.0000  0.0000  0.6665  1.0
  Cu  Cu4  2  0.5000  0.0000  0.2212  1.0
  Cu  Cu5  2  0.5000  0.0000  0.5581  1.0
]