data_[Er6Sc4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9564]
_cell_length_b [3.5069]
_cell_length_c [8.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(ScGa)2]
_chemical_formula_sum '[Er6 Sc4 Ga4]'
_cell_volume [348.9010]
_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
[
  Er  Er0  4  0.1103  0.5000  0.4380  1.0
  Er  Er1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  4  0.1430  0.0000  0.8124  1.0
  Ga  Ga3  4  0.1931  0.0000  0.2092  1.0
]