data_[Sr2Ce1Tm1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.0402]
_cell_length_b [4.0561]
_cell_length_c [7.1748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2CeTmS4]
_chemical_formula_sum '[Sr2 Ce1 Tm1 S4]'
_cell_volume [193.7148]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.5000  1.0
  Sr  Sr1  1  0.5000  0.0000  0.5000  1.0
  Ce  Ce2  1  0.5000  0.5000  0.0000  1.0
  Tm  Tm3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2332  0.5000  0.2275  1.0
  S  S5  2  0.2450  0.0000  0.7657  1.0
]