data_[Li2Tb1Mn1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7322]
_cell_length_b [3.9377]
_cell_length_c [6.8010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TbMnSe4]
_chemical_formula_sum '[Li2 Tb1 Mn1 Se4]'
_cell_volume [170.3783]
_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
[
  Li  Li0  1  0.0000  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  Tb  Tb2  1  0.0000  0.0000  0.0000  1
  Mn  Mn3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2725  0.0000  0.7581  1
  Se  Se5  2  0.2741  0.5000  0.2473  1
]