data_[La2Cr2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9704]
_cell_length_b [6.6500]
_cell_length_c [7.6383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCrSe4]
_chemical_formula_sum '[La2 Cr2 Se8]'
_cell_volume [353.3399]
_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  2  0.2166  0.2500  0.9396  1
  Cr  Cr1  2  0.2917  0.7500  0.2040  1
  Se  Se2  4  0.0958  0.0094  0.2573  1
  Se  Se3  2  0.3566  0.7500  0.9155  1
  Se  Se4  2  0.4478  0.2500  0.6149  1
]