data_[Li4Pm8Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9343]
_cell_length_b [16.9755]
_cell_length_c [10.7105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPm2MnS5]
_chemical_formula_sum '[Li4 Pm8 Mn4 S20]'
_cell_volume [715.3248]
_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  0.2214  0.0001  1
  Pm  Pm1  4  0.0000  0.1120  0.3057  1
  Pm  Pm2  4  0.0000  0.1231  0.6862  1
  Mn  Mn3  4  0.0000  0.4060  0.4843  1
  S  S4  4  0.0000  0.0340  0.0605  1
  S  S5  4  0.0000  0.2986  0.3410  1
  S  S6  4  0.0000  0.3127  0.6495  1
  S  S7  4  0.0000  0.3588  0.9973  1
  S  S8  4  0.0000  0.4818  0.2995  1
]