data_[Er3Si7Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0334]
_cell_length_b [4.0074]
_cell_length_c [12.3533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er3Si7Ni2]
_chemical_formula_sum '[Er3 Si7 Ni2]'
_cell_volume [197.3807]
_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  0.1923  0.0000  0.3679  1
  Er  Er1  1  0.5000  0.5000  0.0000  1
  Si  Si2  2  0.0905  0.5000  0.1756  1
  Si  Si3  2  0.2740  0.5000  0.5534  1
  Si  Si4  2  0.3576  0.0000  0.8252  1
  Si  Si5  1  0.0000  0.0000  0.0000  1
  Ni  Ni6  2  0.3747  0.5000  0.7396  1
]