data_[Er4Al1Ga3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0175]
_cell_length_b [4.3487]
_cell_length_c [10.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er4AlGa3]
_chemical_formula_sum '[Er4 Al1 Ga3]'
_cell_volume [189.5465]
_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
[
  Er  Er0  1  0.0000  0.0000  0.8577  1.0
  Er  Er1  1  0.0000  0.5000  0.3606  1.0
  Er  Er2  1  0.5000  0.0000  0.1408  1.0
  Er  Er3  1  0.5000  0.5000  0.6373  1.0
  Al  Al4  1  0.5000  0.5000  0.9264  1.0
  Ga  Ga5  1  0.0000  0.0000  0.5762  1.0
  Ga  Ga6  1  0.0000  0.5000  0.0796  1.0
  Ga  Ga7  1  0.5000  0.0000  0.4214  1.0
]