data_[Be2Pt2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7339]
_cell_length_b [3.7362]
_cell_length_c [8.5699]
_cell_angle_alpha [90.2948]
_cell_angle_beta [91.1766]
_cell_angle_gamma [92.1143]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BePtSe]
_chemical_formula_sum '[Be2 Pt2 Se2]'
_cell_volume [119.4448]
_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
[
  Be  Be0  2  0.2485  0.2381  0.8472  1
  Pt  Pt1  2  0.3964  0.2472  0.1045  1
  Se  Se2  2  0.2346  0.7449  0.2981  1
]