data_[La8Tm4Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  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 [3.9684]
_cell_length_b [16.8592]
_cell_length_c [11.9628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TmMnS5]
_chemical_formula_sum '[La8 Tm4 Mn4 S20]'
_cell_volume [800.3641]
_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  0.1124  0.6881  1
  La  La1  4  0.0000  0.1289  0.3137  1
  Tm  Tm2  4  0.0000  0.1994  0.0134  1
  Mn  Mn3  4  0.0000  0.4481  0.4488  1
  S  S4  4  0.0000  0.0451  0.0569  1
  S  S5  4  0.0000  0.2892  0.6687  1
  S  S6  4  0.0000  0.3134  0.3592  1
  S  S7  4  0.0000  0.3584  0.0029  1
  S  S8  4  0.0000  0.4952  0.7722  1
]