data_[Tm2Mn1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1269]
_cell_length_b [11.3137]
_cell_length_c [20.7740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm2MnTe4]
_chemical_formula_sum '[Tm2 Mn1 Te4]'
_cell_volume [969.9470]
_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  0.0000  0.3392  0.5545  1
  Mn  Mn1  1  0.5000  0.0000  0.4197  1
  Te  Te2  2  0.5000  0.1900  0.5033  1
  Te  Te3  1  0.0000  0.0000  0.3434  1
  Te  Te4  1  0.5000  0.5000  0.6214  1
]