data_[Er1Ga6Ni4]
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 [P-6m2]
_cell_length_a [6.9473]
_cell_length_b [6.9473]
_cell_length_c [3.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Er(Ga3Ni2)2]
_chemical_formula_sum '[Er1 Ga6 Ni4]'
_cell_volume [163.9126]
_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  0.0000  1
  Ga  Ga1  3  0.1960  0.8040  0.5000  1
  Ga  Ga2  3  0.5343  0.0686  0.0000  1
  Ni  Ni3  3  0.4164  0.2082  0.5000  1
  Ni  Ni4  1  0.3333  0.6667  0.0000  1
]