data_BeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   3.24
_cell_angle_alpha   128.08
_cell_angle_beta   101.19
_cell_angle_gamma   100.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC2
_chemical_formula_sum   'Be1 C2'
_cell_volume   24.13
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.64  0.06  1.0
  C  C2  1  0.42  0.42  0.0  1.0

data_BeC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.24
_cell_length_c   3.24
_cell_angle_alpha   78.81
_cell_angle_beta   64.04
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC2
_chemical_formula_sum   'Be1 C2'
_cell_volume   24.13
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  C  C1  1  0.06  -0.0  0.57  1.0
  C  C2  1  0.58  0.42  0.42  1.0

Be C C
Be C C 0 1 o - o 0 2 o o o 1 2 o o o 1 2 - o o 