data_[Pr3Tm6Ga3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5893]
_cell_length_b [3.5893]
_cell_length_c [30.8412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrTm2Ga]
_chemical_formula_sum '[Pr3 Tm6 Ga3]'
_cell_volume [344.0937]
_cell_formula_units_Z [3]
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
[
  Pr  Pr0  3  0.0000  0.0000  0.5004  1
  Tm  Tm1  3  0.0000  0.0000  0.0691  1
  Tm  Tm2  3  0.0000  0.0000  0.2642  1
  Ga  Ga3  3  0.0000  0.0000  0.6663  1
]