data_[Ba2Sr1Tm1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6789]
_cell_length_b [4.4042]
_cell_length_c [7.8170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2SrTmSe4]
_chemical_formula_sum '[Ba2 Sr1 Tm1 Se4]'
_cell_volume [250.1484]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.5000  1.0
  Ba  Ba1  1  0.5000  0.0000  0.5000  1.0
  Sr  Sr2  1  0.5000  0.5000  0.0000  1.0
  Tm  Tm3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2236  0.5000  0.2136  1.0
  Se  Se5  2  0.2423  0.0000  0.7788  1.0
]