data_[Sr1Be2Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2591]
_cell_length_b [3.5287]
_cell_length_c [5.8891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SrBe2Ni]
_chemical_formula_sum '[Sr1 Be2 Ni1]'
_cell_volume [67.7268]
_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
[
  Sr  Sr0  1  0.5000  0.5000  0.2254  1
  Be  Be1  1  0.0000  0.0000  0.9002  1
  Be  Be2  1  0.0000  0.5000  0.6985  1
  Ni  Ni3  1  0.5000  0.0000  0.6758  1
]