data_[Pm4Cu4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.9779]
_cell_length_b [5.2584]
_cell_length_c [19.5146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PmCuSn3]
_chemical_formula_sum '[Pm4 Cu4 Sn12]'
_cell_volume [510.8177]
_cell_formula_units_Z [4]
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
[
  Pm  Pm0  4  0.0000  0.2500  0.0901  1
  Cu  Cu1  4  0.0000  0.2500  0.6601  1
  Sn  Sn2  4  0.0000  0.2500  0.2942  1
  Sn  Sn3  4  0.0000  0.2500  0.5305  1
  Sn  Sn4  4  0.0000  0.2500  0.8017  1
]