data_[Pm6Cu2Si6]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9939]
_cell_length_b [4.3075]
_cell_length_c [18.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pm3CuSi3]
_chemical_formula_sum '[Pm6 Cu2 Si6]'
_cell_volume [310.8438]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0021  1
  Pm  Pm1  2  0.0000  0.5000  0.3164  1
  Pm  Pm2  2  0.0000  0.5000  0.6838  1
  Cu  Cu3  2  0.0000  0.0000  0.4334  1
  Si  Si4  2  0.0000  0.0000  0.5607  1
  Si  Si5  2  0.0000  0.5000  0.1411  1
  Si  Si6  2  0.0000  0.5000  0.8625  1
]