# generated using pymatgen
data_Ca(BeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21453705
_cell_length_b   5.21453752
_cell_length_c   5.21453765
_cell_angle_alpha   97.51882951
_cell_angle_beta   115.75818195
_cell_angle_gamma   115.75819778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(BeN)2
_chemical_formula_sum   'Ca2 Be4 N4'
_cell_volume   105.70243697
_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
  Ca  Ca0  1  0.00000000  0.75000000  0.75000000  1.0
  Ca  Ca1  1  0.00000000  0.25000000  0.25000000  1.0
  Be  Be2  1  0.75267975  0.12633988  0.62633988  1.0
  Be  Be3  1  0.50000000  0.62633988  0.87366012  1.0
  Be  Be4  1  0.24732025  0.87366012  0.37366012  1.0
  Be  Be5  1  0.50000000  0.37366012  0.12633988  1.0
  N  N6  1  0.50000000  0.16934160  0.33065840  1.0
  N  N7  1  0.83868320  0.66934160  0.16934160  1.0
  N  N8  1  0.16131680  0.33065840  0.83065840  1.0
  N  N9  1  0.50000000  0.83065840  0.66934160  1.0