data_[Sr2Be4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8795]
_cell_length_b [3.7435]
_cell_length_c [5.8121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrBe2Se]
_chemical_formula_sum '[Sr2 Be4 Se2]'
_cell_volume [167.5266]
_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
[
  Sr  Sr0  2  0.2042  0.5000  0.2227  1
  Be  Be1  2  0.0230  0.0000  0.8302  1
  Be  Be2  2  0.3147  0.0000  0.8636  1
  Se  Se3  2  0.4581  0.0000  0.5835  1
]