data_Be3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   3.84
_cell_angle_alpha   133.53
_cell_angle_beta   133.53
_cell_angle_gamma   67.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3H
_chemical_formula_sum   'Be3 H1'
_cell_volume   29.34
_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  0.52  0.59  1.0
  Be  Be1  1  0.52  0.0  0.59  1.0
  Be  Be2  1  0.0  0.0  0.19  1.0
  H  H3  1  0.0  0.0  0.0  1.0

data_Be3H
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   123.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be3H
_chemical_formula_sum   'Be6 H2'
_cell_volume   58.68
_cell_formula_units_Z   2
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  4  0.16  0.24  0.92  1.0
  Be  Be1  2  0.31  0.5  0.81  1.0
  H  H2  2  0.0  0.0  0.0  1.0

Be Be Be H