data_[Pm2Cu10Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0348]
_cell_length_b [7.4255]
_cell_length_c [12.9261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [PmCu5Se4]
_chemical_formula_sum '[Pm2 Cu10 Se8]'
_cell_volume [387.2765]
_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  0.5000  0.5000  1
  Cu  Cu1  8  0.0000  0.1833  0.1815  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.0000  0.2845  0.0000  1
  Se  Se4  4  0.0000  0.5000  0.2641  1
]