data_[La2Ga2Se4]
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 [P1]
_cell_length_a [4.2013]
_cell_length_b [7.4631]
_cell_length_c [7.5877]
_cell_angle_alpha [107.1832]
_cell_angle_beta [91.2221]
_cell_angle_gamma [105.7425]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaGaSe2]
_chemical_formula_sum '[La2 Ga2 Se4]'
_cell_volume [217.4295]
_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  1  0.5389  0.4886  0.9037  1.0
  La  La1  1  0.8214  0.0645  0.3531  1.0
  Ga  Ga2  1  0.5169  0.6153  0.4199  1.0
  Ga  Ga3  1  0.7780  0.8775  0.7613  1.0
  Se  Se4  1  0.0286  0.4891  0.6222  1.0
  Se  Se5  1  0.1692  0.7439  0.1580  1.0
  Se  Se6  1  0.3332  0.0696  0.6575  1.0
  Se  Se7  1  0.4062  0.2739  0.1878  1.0
]