data_[Er2Be2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4301]
_cell_length_b [5.7105]
_cell_length_c [6.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ErBeIn]
_chemical_formula_sum '[Er2 Be2 In2]'
_cell_volume [134.3080]
_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  1  0.0000  0.5000  0.8811  1
  Er  Er1  1  0.5000  0.0000  0.2770  1
  Be  Be2  2  0.0000  0.1775  0.5649  1
  In  In3  1  0.0000  0.5000  0.3331  1
  In  In4  1  0.5000  0.0000  0.8131  1
]