data_[Tm3Mn2In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2742]
_cell_length_b [7.2742]
_cell_length_c [3.8135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Tm3Mn2In3]
_chemical_formula_sum '[Tm3 Mn2 In3]'
_cell_volume [174.7527]
_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  3  0.0000  0.5857  0.5000  1
  Mn  Mn1  2  0.3333  0.6667  0.0000  1
  In  In2  3  0.0000  0.2484  0.0000  1
]