data_[La8Y4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1438]
_cell_length_b [17.5067]
_cell_length_c [12.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2YMnSe5]
_chemical_formula_sum '[La8 Y4 Mn4 Se20]'
_cell_volume [916.6173]
_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  0.0000  0.1194  0.3421  1.0
  La  La1  4  0.0000  0.1213  0.6939  1.0
  Y  Y2  4  0.0000  0.1847  0.0231  1.0
  Mn  Mn3  4  0.0000  0.4453  0.4280  1.0
  Se  Se4  4  0.0000  0.0194  0.0236  1.0
  Se  Se5  4  0.0000  0.3030  0.6823  1.0
  Se  Se6  4  0.0000  0.3081  0.3607  1.0
  Se  Se7  4  0.0000  0.3477  0.0168  1.0
  Se  Se8  4  0.0000  0.4959  0.7535  1.0
]