data_[Ca2La6Pm12Er4]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3706]
_cell_length_b [11.0455]
_cell_length_c [12.0798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa3(Pm3Er)2]
_chemical_formula_sum '[Ca2 La6 Pm12 Er4]'
_cell_volume [836.8220]
_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  0.0000  0.0000  0.0000  1
  La  La1  4  0.0000  0.1665  0.5000  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Pm  Pm3  8  0.2465  0.3294  0.7534  1
  Pm  Pm4  4  0.2418  0.5000  0.2467  1
  Er  Er5  4  0.0000  0.3333  0.0000  1
]