data_[Y2Tm1Mn1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [P1]
_cell_length_a [6.5704]
_cell_length_b [6.7024]
_cell_length_c [7.0097]
_cell_angle_alpha [62.2107]
_cell_angle_beta [89.8452]
_cell_angle_gamma [62.2812]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y2TmMnS6]
_chemical_formula_sum '[Y2 Tm1 Mn1 S6]'
_cell_volume [232.5326]
_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
[
  Y  Y0  1  0.4807  0.0467  0.4354  1.0
  Y  Y1  1  0.9768  0.0498  0.9439  1.0
  Tm  Tm2  1  0.1837  0.6326  0.5456  1.0
  Mn  Mn3  1  0.6793  0.6417  0.0336  1.0
  S  S4  1  0.0554  0.1418  0.2683  1.0
  S  S5  1  0.2998  0.1395  0.7544  1.0
  S  S6  1  0.4106  0.5461  0.2386  1.0
  S  S7  1  0.5747  0.5401  0.7721  1.0
  S  S8  1  0.7875  0.7880  0.2488  1.0
  S  S9  1  0.8898  0.7969  0.7746  1.0
]