data_[Mn2Cu2Sn2]
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 [Pmm2]
_cell_length_a [3.8967]
_cell_length_b [3.9719]
_cell_length_c [6.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MnCuSn]
_chemical_formula_sum '[Mn2 Cu2 Sn2]'
_cell_volume [99.9414]
_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  1  0.0000  0.5000  0.6095  1
  Mn  Mn1  1  0.5000  0.5000  0.3311  1
  Cu  Cu2  1  0.0000  0.0000  0.3301  1
  Cu  Cu3  1  0.5000  0.0000  0.0625  1
  Sn  Sn4  1  0.0000  0.5000  0.0302  1
  Sn  Sn5  1  0.5000  0.0000  0.6411  1
]