data_[Ca6La2Pr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3045]
_cell_length_b [12.6378]
_cell_length_c [7.4422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3La(PrSe3)2]
_chemical_formula_sum '[Ca6 La2 Pr4 Se12]'
_cell_volume [649.1667]
_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  0.1669  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  La  La2  2  0.0000  0.0000  0.0000  1
  Pr  Pr3  4  0.0000  0.3339  0.0000  1
  Se  Se4  8  0.2467  0.3330  0.7405  1
  Se  Se5  4  0.2471  0.0000  0.7402  1
]