data_[Er6Ga12Ni10]
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 [Pmmn]
_cell_length_a [4.0945]
_cell_length_b [12.3367]
_cell_length_c [8.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Er3Ga6Ni5]
_chemical_formula_sum '[Er6 Ga12 Ni10]'
_cell_volume [449.0783]
_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  4  0.0000  0.3001  0.7532  1
  Er  Er1  2  0.0000  0.0000  0.7359  1
  Ga  Ga2  4  0.0000  0.1507  0.0182  1
  Ga  Ga3  4  0.0000  0.3219  0.4109  1
  Ga  Ga4  2  0.0000  0.5000  0.5854  1
  Ga  Ga5  2  0.0000  0.5000  0.9636  1
  Ni  Ni6  4  0.0000  0.1123  0.4573  1
  Ni  Ni7  4  0.0000  0.3421  0.1340  1
  Ni  Ni8  2  0.0000  0.0000  0.2170  1
]