data_[Er12Mg4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5086]
_cell_length_b [17.4631]
_cell_length_c [6.6735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3MgGa]
_chemical_formula_sum '[Er12 Mg4 Ga4]'
_cell_volume [525.4341]
_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
[
  Er  Er0  8  0.0000  0.3963  0.5050  1.0
  Er  Er1  4  0.0000  0.2204  0.7500  1.0
  Mg  Mg2  4  0.0000  0.0071  0.7500  1.0
  Ga  Ga3  4  0.0000  0.1751  0.2500  1.0
]