data_[Pm4Sm4Mg4Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6704]
_cell_length_b [7.6704]
_cell_length_c [7.6704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [PmSmMgZr]
_chemical_formula_sum '[Pm4 Sm4 Mg4 Zr4]'
_cell_volume [451.2826]
_cell_formula_units_Z [4]
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
[
  Pm  Pm0  4  0.2500  0.2500  0.7500  1
  Sm  Sm1  4  0.2500  0.2500  0.2500  1
  Mg  Mg2  4  0.0000  0.0000  0.0000  1
  Zr  Zr3  4  0.0000  0.0000  0.5000  1
]