data_BeH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.3
_cell_length_b   2.3
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeH
_chemical_formula_sum   'Be2 H2'
_cell_volume   24.52
_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  1  0.0  0.33  0.17  1.0
  Be  Be1  1  0.15  0.66  0.85  1.0
  H  H2  1  0.0  0.33  0.84  1.0
  H  H3  1  0.15  0.66  0.53  1.0

data_BeH
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   2.3
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeH
_chemical_formula_sum   'Be4 H4'
_cell_volume   49.05
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.33  0.0  0.17  1.0
  Be  Be1  2  0.49  0.0  0.85  1.0
  H  H2  2  0.33  0.0  0.84  1.0
  H  H3  2  0.49  0.0  0.53  1.0

Be Be H H
Be Be H H 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o - 0 3 o o o 0 2 o o - 1 2 o o o 1 3 o o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 