data_[Tm3Ga7Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1180]
_cell_length_b [4.0537]
_cell_length_c [13.1602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm3Ga7Ni2]
_chemical_formula_sum '[Tm3 Ga7 Ni2]'
_cell_volume [216.9853]
_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  0.1775  0.0000  0.3605  1.0
  Tm  Tm1  1  0.5000  0.5000  0.0000  1.0
  Ga  Ga2  2  0.0869  0.5000  0.1701  1.0
  Ga  Ga3  2  0.2769  0.5000  0.5557  1.0
  Ga  Ga4  2  0.4172  0.0000  0.8316  1.0
  Ga  Ga5  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni6  2  0.3656  0.5000  0.7363  1.0
]