data_[Be2Ni1Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.7324]
_cell_length_b [3.6865]
_cell_length_c [3.8118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Be2NiSb]
_chemical_formula_sum '[Be2 Ni1 Sb1]'
_cell_volume [51.8614]
_cell_formula_units_Z [1]
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
[
  Be  Be0  1  0.0000  0.0000  0.0000  1
  Be  Be1  1  0.0000  0.5000  0.5000  1
  Ni  Ni2  1  0.5000  0.5000  0.0000  1
  Sb  Sb3  1  0.5000  0.0000  0.5000  1
]