data_[Er4Tc4B12]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6524]
_cell_length_b [19.1815]
_cell_length_c [3.1033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ErTcB3]
_chemical_formula_sum '[Er4 Tc4 B12]'
_cell_volume [217.4113]
_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
[
  Er  Er0  4  0.0000  0.0762  0.2500  1
  Tc  Tc1  4  0.0000  0.2074  0.7500  1
  B  B2  4  0.0000  0.3232  0.7500  1
  B  B3  4  0.0000  0.3717  0.2500  1
  B  B4  4  0.0000  0.4770  0.2500  1
]