data_[Li4Pr8Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  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 [4.1467]
_cell_length_b [17.9236]
_cell_length_c [11.3126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2MnSe5]
_chemical_formula_sum '[Li4 Pr8 Mn4 Se20]'
_cell_volume [840.8002]
_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
[
  Li  Li0  4  0.0000  0.2194  0.0013  1.0
  Pr  Pr1  4  0.0000  0.1114  0.3063  1.0
  Pr  Pr2  4  0.0000  0.1238  0.6862  1.0
  Mn  Mn3  4  0.0000  0.4041  0.4840  1.0
  Se  Se4  4  0.0000  0.0342  0.0599  1.0
  Se  Se5  4  0.0000  0.2964  0.3402  1.0
  Se  Se6  4  0.0000  0.3109  0.6507  1.0
  Se  Se7  4  0.0000  0.3577  0.9969  1.0
  Se  Se8  4  0.0000  0.4811  0.2987  1.0
]