data_[Ce4Er12Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7472]
_cell_length_b [3.8653]
_cell_length_c [12.8191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeEr3Tc]
_chemical_formula_sum '[Ce4 Er12 Tc4]'
_cell_volume [536.3090]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  2  0.2754  0.5000  0.0071  1
  Ce  Ce1  2  0.3844  0.5000  0.2931  1
  Er  Er2  2  0.0137  0.0000  0.9018  1
  Er  Er3  2  0.0456  0.5000  0.1490  1
  Er  Er4  2  0.0658  0.5000  0.5252  1
  Er  Er5  2  0.2072  0.0000  0.3836  1
  Er  Er6  2  0.2433  0.0000  0.7623  1
  Er  Er7  2  0.3917  0.5000  0.6230  1
  Tc  Tc8  2  0.0720  0.5000  0.7602  1
  Tc  Tc9  2  0.2402  0.0000  0.1362  1
]