data_[Er2Re2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6689]
_cell_length_b [3.6003]
_cell_length_c [8.5805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErReSi2]
_chemical_formula_sum '[Er2 Re2 Si4]'
_cell_volume [141.6855]
_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  0.0257  0.2500  0.1885  1.0
  Si  Si1  2  0.1408  0.7500  0.4612  1.0
  Re  Re2  2  0.3984  0.2500  0.6234  1.0
  Si  Si3  2  0.4732  0.7500  0.0869  1.0
]