data_[La1Ir1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1799]
_cell_length_b [3.8528]
_cell_length_c [6.1319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaIrSe2]
_chemical_formula_sum '[La1 Ir1 Se2]'
_cell_volume [94.0460]
_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  0.0000  1
  Ir  Ir1  1  0.0000  0.5000  0.5000  1
  Se  Se2  2  0.0961  0.0000  0.2715  1
]