data_[Er12Mg4Ga28]
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 [4.0752]
_cell_length_b [19.2650]
_cell_length_c [11.8627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3MgGa7]
_chemical_formula_sum '[Er12 Mg4 Ga28]'
_cell_volume [931.3343]
_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  0.1060  0.0405  1
  Er  Er1  4  0.0000  0.2424  0.7500  1
  Mg  Mg2  4  0.0000  0.0432  0.7500  1
  Ga  Ga3  8  0.0000  0.2585  0.0561  1
  Ga  Ga4  8  0.0000  0.3699  0.1470  1
  Ga  Ga5  8  0.0000  0.4960  0.1023  1
  Ga  Ga6  4  0.0000  0.4015  0.7500  1
]