data_[Er6Tc16W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1329]
_cell_length_b [5.3923]
_cell_length_c [8.9734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er3Tc8W]
_chemical_formula_sum '[Er6 Tc16 W2]'
_cell_volume [423.0802]
_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  0.0080  0.0000  0.0040  1
  Er  Er1  2  0.1317  0.5000  0.8781  1
  Er  Er2  2  0.4895  0.0000  0.4984  1
  Tc  Tc3  4  0.3100  0.2517  0.6873  1
  Tc  Tc4  4  0.3166  0.2458  0.1939  1
  Tc  Tc5  2  0.0644  0.0000  0.6592  1
  Tc  Tc6  2  0.0674  0.5000  0.2017  1
  Tc  Tc7  2  0.3087  0.5000  0.4392  1
  Tc  Tc8  2  0.3201  0.0000  0.9343  1
  W  W9  2  0.1067  0.0000  0.3729  1
]