data_[Ca6La4Pm4]
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 [Cmmm]
_cell_length_a [5.8277]
_cell_length_b [25.3413]
_cell_length_c [3.6614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca3(LaPm)2]
_chemical_formula_sum '[Ca6 La4 Pm4]'
_cell_volume [540.7313]
_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  0.4240  0.5000  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  La  La2  4  0.0000  0.2797  0.5000  1
  Pm  Pm3  4  0.0000  0.1527  0.0000  1
]