data_[Ca4Pm6Tm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1443]
_cell_length_b [12.3885]
_cell_length_c [7.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Pm3TmSe6]
_chemical_formula_sum '[Ca4 Pm6 Tm2 Se12]'
_cell_volume [612.1832]
_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
[
  Ca  Ca0  4  0.0000  0.3336  0.0000  1
  Pm  Pm1  4  0.0000  0.1724  0.5000  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2427  0.1636  0.2375  1
  Se  Se5  4  0.2453  0.0000  0.7553  1
]