data_[Ca4La12Pm2]
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
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2528]
_cell_length_b [8.8861]
_cell_length_c [11.8804]
_cell_angle_alpha [72.8398]
_cell_angle_beta [75.3106]
_cell_angle_gamma [74.4546]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2La6Pm]
_chemical_formula_sum '[Ca4 La12 Pm2]'
_cell_volume [692.0529]
_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  2  0.3577  0.4650  0.2494  1
  Ca  Ca1  2  0.4089  0.8046  0.5051  1
  La  La2  2  0.0331  0.2671  0.5565  1
  La  La3  2  0.0759  0.1484  0.3008  1
  La  La4  2  0.1390  0.6534  0.9616  1
  La  La5  2  0.1881  0.4353  0.7189  1
  La  La6  2  0.3698  0.9936  0.7861  1
  La  La7  2  0.3722  0.2472  0.0051  1
  Pm  Pm8  2  0.1522  0.9041  0.1239  1
]