data_[Er4Ga5Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9257]
_cell_length_b [4.1743]
_cell_length_c [7.8882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Ga5Si2]
_chemical_formula_sum '[Er4 Ga5 Si2]'
_cell_volume [228.0214]
_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  2  0.2190  0.5000  0.8637  1.0
  Er  Er1  2  0.2421  0.5000  0.3937  1.0
  Ga  Ga2  2  0.1281  0.0000  0.1228  1.0
  Ga  Ga3  2  0.4463  0.0000  0.6587  1.0
  Ga  Ga4  1  0.5000  0.0000  0.0000  1.0
  Si  Si5  2  0.0831  0.0000  0.6294  1.0
]