data_[La4Pr2Y2Mg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3223]
_cell_length_b [6.3359]
_cell_length_c [8.1743]
_cell_angle_alpha [75.0855]
_cell_angle_beta [82.5408]
_cell_angle_gamma [80.3275]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La4Pr2Y2Mg]
_chemical_formula_sum '[La4 Pr2 Y2 Mg1]'
_cell_volume [310.6209]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.3265  0.6660  0.3366  1.0
  La  La1  2  0.4488  0.2158  0.1080  1.0
  Pr  Pr2  2  0.1056  0.5576  0.7812  1.0
  Y  Y3  2  0.2242  0.1074  0.5614  1.0
  Mg  Mg4  1  0.0000  0.0000  0.0000  1.0
]