data_[Er4Mn4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1409]
_cell_length_b [5.3785]
_cell_length_c [7.5561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ErMnTc]
_chemical_formula_sum '[Er4 Mn4 Tc4]'
_cell_volume [208.9298]
_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  0.2500  0.3771  1
  Mn  Mn1  4  0.0000  0.0000  0.0000  1
  Tc  Tc2  4  0.2500  0.2500  0.7500  1
]