data_[Nd10Er2Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1891]
_cell_length_b [15.5905]
_cell_length_c [7.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd5ErGa6]
_chemical_formula_sum '[Nd10 Er2 Ga12]'
_cell_volume [593.4408]
_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
[
  Nd  Nd0  4  0.0000  0.3300  0.5000  1
  Nd  Nd1  4  0.0000  0.3343  0.0000  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  8  0.0000  0.1628  0.2433  1
  Ga  Ga5  4  0.0000  0.5000  0.2452  1
]