data_[Ca2La4Pm4Mg10]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.8548]
_cell_length_b [10.8548]
_cell_length_c [5.1428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [CaLa2Pm2Mg5]
_chemical_formula_sum '[Ca2 La4 Pm4 Mg10]'
_cell_volume [605.9602]
_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  0.1733  0.3267  0.0000  1
  Pm  Pm2  4  0.1223  0.6223  0.0000  1
  Mg  Mg3  8  0.0707  0.8013  0.5000  1
  Mg  Mg4  2  0.0000  0.5000  0.5000  1
]