data_[La1Ce2Tm1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9774]
_cell_length_b [4.0040]
_cell_length_c [6.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaCe2TmS4]
_chemical_formula_sum '[La1 Ce2 Tm1 S4]'
_cell_volume [184.0633]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  1  0.5000  0.0000  0.5000  1.0
  Tm  Tm3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2343  0.5000  0.2398  1.0
  S  S5  2  0.2375  0.0000  0.7513  1.0
]