data_[Ca3Pm12Ho3Se24]
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
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.6258]
_cell_length_b [8.6258]
_cell_length_c [20.9702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaPm4HoSe8]
_chemical_formula_sum '[Ca3 Pm12 Ho3 Se24]'
_cell_volume [1351.2485]
_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  0.3756  1
  Pm  Pm1  9  0.1694  0.3387  0.8327  1
  Pm  Pm2  3  0.0000  0.0000  0.6241  1
  Ho  Ho3  3  0.0000  0.0000  0.0023  1
  Se  Se4  9  0.0270  0.5135  0.7503  1
  Se  Se5  9  0.1802  0.3604  0.5832  1
  Se  Se6  3  0.0000  0.0000  0.2419  1
  Se  Se7  3  0.0000  0.0000  0.7575  1
]