data_[Er2Ta2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4805]
_cell_length_b [4.4078]
_cell_length_c [5.5052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErTaRu]
_chemical_formula_sum '[Er2 Ta2 Ru2]'
_cell_volume [128.2029]
_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  0.2344  0.7500  0.4261  1
  Ta  Ta1  2  0.3396  0.2500  0.9650  1
  Ru  Ru2  2  0.0962  0.7500  0.8824  1
]