data_[Pr2Mg4Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6181]
_cell_length_b [4.2741]
_cell_length_c [11.1098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(MgSi)2]
_chemical_formula_sum '[Pr2 Mg4 Si4]'
_cell_volume [218.1005]
_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  0.3171  0.2500  0.7558  1
  Mg  Mg1  2  0.1523  0.2500  0.1149  1
  Mg  Mg2  2  0.2505  0.7500  0.5019  1
  Si  Si3  2  0.2148  0.2500  0.3517  1
  Si  Si4  2  0.3691  0.7500  0.9887  1
]