# generated using pymatgen
data_Be2NCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09531402
_cell_length_b   10.09531402
_cell_length_c   10.09531402
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NCl5
_chemical_formula_sum   'Be8 N4 Cl20'
_cell_volume   727.51926682
_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
  Be  Be0  1  0.00442500  0.33185800  0.33185800  1.0
  Be  Be1  1  0.33185800  0.00442500  0.33185800  1.0
  Be  Be2  1  0.33185800  0.33185800  0.00442500  1.0
  Be  Be3  1  0.33185800  0.33185800  0.33185800  1.0
  Be  Be4  1  0.24557500  0.91814200  0.91814200  1.0
  Be  Be5  1  0.91814200  0.24557500  0.91814200  1.0
  Be  Be6  1  0.91814200  0.91814200  0.24557500  1.0
  Be  Be7  1  0.91814200  0.91814200  0.91814200  1.0
  N  N8  1  0.12500000  0.62500000  0.62500000  1.0
  N  N9  1  0.62500000  0.12500000  0.62500000  1.0
  N  N10  1  0.62500000  0.62500000  0.12500000  1.0
  N  N11  1  0.62500000  0.62500000  0.62500000  1.0
  Cl  Cl12  1  0.08410500  0.08410500  0.41589500  1.0
  Cl  Cl13  1  0.41589500  0.41589500  0.08410500  1.0
  Cl  Cl14  1  0.08410500  0.41589500  0.08410500  1.0
  Cl  Cl15  1  0.41589500  0.08410500  0.41589500  1.0
  Cl  Cl16  1  0.41589500  0.08410500  0.08410500  1.0
  Cl  Cl17  1  0.08410500  0.41589500  0.41589500  1.0
  Cl  Cl18  1  0.16589500  0.16589500  0.83410500  1.0
  Cl  Cl19  1  0.83410500  0.83410500  0.16589500  1.0
  Cl  Cl20  1  0.16589500  0.83410500  0.16589500  1.0
  Cl  Cl21  1  0.83410500  0.16589500  0.83410500  1.0
  Cl  Cl22  1  0.83410500  0.16589500  0.16589500  1.0
  Cl  Cl23  1  0.16589500  0.83410500  0.83410500  1.0
  Cl  Cl24  1  0.76360300  0.41213200  0.41213200  1.0
  Cl  Cl25  1  0.41213200  0.76360300  0.41213200  1.0
  Cl  Cl26  1  0.41213200  0.41213200  0.76360300  1.0
  Cl  Cl27  1  0.41213200  0.41213200  0.41213200  1.0
  Cl  Cl28  1  0.48639700  0.83786800  0.83786800  1.0
  Cl  Cl29  1  0.83786800  0.48639700  0.83786800  1.0
  Cl  Cl30  1  0.83786800  0.83786800  0.48639700  1.0
  Cl  Cl31  1  0.83786800  0.83786800  0.83786800  1.0