data_[Er4Be4V4]
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
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4542]
_cell_length_b [3.4327]
_cell_length_c [7.0044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErBeV]
_chemical_formula_sum '[Er4 Be4 V4]'
_cell_volume [209.8163]
_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  0.0730  0.0000  0.2888  1
  Be  Be1  4  0.1210  0.5000  0.6607  1
  V  V2  4  0.2119  0.5000  0.0743  1
]