data_[La1Ce1P2Os2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1334]
_cell_length_b [4.1334]
_cell_length_c [9.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaCeP2(OsSe)2]
_chemical_formula_sum '[La1 Ce1 P2 Os2 Se2]'
_cell_volume [166.8964]
_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  1  0.5000  0.5000  0.7648  1
  Ce  Ce1  1  0.0000  0.0000  0.2341  1
  P  P2  1  0.0000  0.0000  0.6218  1
  P  P3  1  0.5000  0.5000  0.3789  1
  Os  Os4  2  0.0000  0.5000  0.5000  1
  Se  Se5  2  0.0000  0.5000  0.0001  1
]