data_[Ca3Tb12Pm3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5011]
_cell_length_b [8.5011]
_cell_length_c [20.9645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaTb4PmSe8]
_chemical_formula_sum '[Ca3 Tb12 Pm3 Se24]'
_cell_volume [1312.0845]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3742  1
  Tb  Tb1  9  0.1694  0.3389  0.8326  1
  Tb  Tb2  3  0.0000  0.0000  0.6255  1
  Pm  Pm3  3  0.0000  0.0000  0.0020  1
  Se  Se4  9  0.0222  0.5111  0.7551  1
  Se  Se5  9  0.1752  0.3505  0.5790  1
  Se  Se6  3  0.0000  0.0000  0.2400  1
  Se  Se7  3  0.0000  0.0000  0.7582  1
]