data_[La6Pr2Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9853]
_cell_length_b [6.7948]
_cell_length_c [6.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3PrOs]
_chemical_formula_sum '[La6 Pr2 Os2]'
_cell_volume [357.6998]
_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
[
  La  La0  4  0.2484  0.3248  0.9250  1.0
  La  La1  2  0.0000  0.8404  0.9301  1.0
  Pr  Pr2  2  0.0000  0.1627  0.4262  1.0
  Os  Os3  2  0.0000  0.5079  0.1719  1.0
]