data_[Er6Ga16Ni6]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.4409]
_cell_length_b [4.1558]
_cell_length_c [9.4734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er3Ga8Ni3]
_chemical_formula_sum '[Er6 Ga16 Ni6]'
_cell_volume [484.5636]
_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  2  0.0100  0.0000  0.0145  1.0
  Er  Er1  2  0.1870  0.5000  0.6840  1.0
  Er  Er2  2  0.3052  0.0000  0.2985  1.0
  Ga  Ga3  2  0.0009  0.5000  0.7124  1.0
  Ga  Ga4  2  0.0022  0.5000  0.2771  1.0
  Ga  Ga5  2  0.1525  0.0000  0.8840  1.0
  Ga  Ga6  2  0.1566  0.0000  0.4183  1.0
  Ga  Ga7  2  0.3409  0.5000  0.1072  1.0
  Ga  Ga8  2  0.3446  0.0000  0.7444  1.0
  Ga  Ga9  2  0.3446  0.5000  0.5693  1.0
  Ga  Ga10  2  0.4999  0.5000  0.4944  1.0
  Ni  Ni11  2  0.1544  0.5000  0.0224  1.0
  Ni  Ni12  2  0.1620  0.5000  0.2894  1.0
  Ni  Ni13  2  0.3390  0.0000  0.9842  1.0
]