data_[La4Ga4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3846]
_cell_length_b [8.7105]
_cell_length_c [5.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaGaSe2]
_chemical_formula_sum '[La4 Ga4 Se8]'
_cell_volume [404.3534]
_cell_formula_units_Z [4]
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  0.0080  0.2486  0.3624  1.0
  Ga  Ga1  2  0.3614  0.0000  0.9490  1.0
  Ga  Ga2  2  0.4384  0.5000  0.9426  1.0
  Se  Se3  4  0.1519  0.2414  0.9399  1.0
  Se  Se4  2  0.2902  0.5000  0.4919  1.0
  Se  Se5  2  0.2924  0.0000  0.4995  1.0
]