data_[Sr4Tm4Mn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0692]
_cell_length_b [13.8508]
_cell_length_c [10.4793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrTmMnSe3]
_chemical_formula_sum '[Sr4 Tm4 Mn4 Se12]'
_cell_volume [590.6337]
_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
[
  Sr  Sr0  4  0.0000  0.2494  0.2500  1
  Tm  Tm1  4  0.0000  0.5000  0.0000  1
  Mn  Mn2  4  0.0000  0.0306  0.7500  1
  Se  Se3  8  0.0000  0.1391  0.5617  1
  Se  Se4  4  0.0000  0.4211  0.7500  1
]