data_[Tm6In2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3158]
_cell_length_b [5.0340]
_cell_length_c [7.9855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3InCu]
_chemical_formula_sum '[Tm6 In2 Cu2]'
_cell_volume [244.9720]
_cell_formula_units_Z [2]
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  0.2209  0.2500  0.5623  1.0
  Tm  Tm1  2  0.2355  0.7500  0.2589  1.0
  Tm  Tm2  2  0.3259  0.2500  0.0079  1.0
  In  In3  2  0.1164  0.7500  0.8062  1.0
  Cu  Cu4  2  0.4636  0.7500  0.6319  1.0
]