data_[Tm4Ge1As1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8574]
_cell_length_b [3.9873]
_cell_length_c [6.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4GeAsS2]
_chemical_formula_sum '[Tm4 Ge1 As1 S2]'
_cell_volume [178.0859]
_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
[
  Tm  Tm0  2  0.2477  0.5000  0.2467  1
  Tm  Tm1  2  0.2480  0.0000  0.7526  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  As  As3  1  0.0000  0.5000  0.5000  1
  S  S4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.5000  0.5000  0.0000  1
]