data_[Ca4La4Pm2]
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 [P4/mbm]
_cell_length_a [9.5878]
_cell_length_b [9.5878]
_cell_length_c [4.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2La2Pm]
_chemical_formula_sum '[Ca4 La4 Pm2]'
_cell_volume [381.4916]
_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  0.1747  0.3253  0.5000  1
  La  La1  4  0.1250  0.6250  0.0000  1
  Pm  Pm2  2  0.0000  0.0000  0.0000  1
]