data_[Pr2Mg4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8448]
_cell_length_b [4.1292]
_cell_length_c [10.6886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(MgCu)2]
_chemical_formula_sum '[Pr2 Mg4 Cu4]'
_cell_volume [211.9583]
_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
[
  Pr  Pr0  2  0.3076  0.7500  0.7585  1.0
  Mg  Mg1  2  0.1505  0.7500  0.1010  1.0
  Mg  Mg2  2  0.2538  0.2500  0.5025  1.0
  Cu  Cu3  2  0.2029  0.7500  0.3475  1.0
  Cu  Cu4  2  0.3680  0.2500  0.9792  1.0
]