data_[Na4Sr4Be4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4221]
_cell_length_b [4.1101]
_cell_length_c [8.7375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaSrBe]
_chemical_formula_sum '[Na4 Sr4 Be4]'
_cell_volume [405.1200]
_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
[
  Na  Na0  2  0.2214  0.0000  0.0072  1
  Na  Na1  2  0.4538  0.5000  0.1425  1
  Sr  Sr2  2  0.1991  0.5000  0.4243  1
  Sr  Sr3  2  0.4684  0.0000  0.7397  1
  Be  Be4  2  0.4271  0.0000  0.4039  1
  Be  Be5  2  0.4684  0.5000  0.4594  1
]