data_[K4Tm4Ga4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7222]
_cell_length_b [15.4240]
_cell_length_c [11.5785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KTmGaTe3]
_chemical_formula_sum '[K4 Tm4 Ga4 Te12]'
_cell_volume [843.3271]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.0000  0.2451  0.2500  1
  Tm  Tm1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.4751  0.7500  1
  Te  Te3  8  0.0000  0.3726  0.5539  1
  Te  Te4  4  0.0000  0.0677  0.7500  1
]