data_Be2CuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.77
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   39.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuHg
_chemical_formula_sum   'Be2 Cu1 Hg1'
_cell_volume   52.88
_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  0.64  0.0  0.79  1.0
  Be  Be1  1  0.39  0.0  0.9  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.52  0.0  0.35  1.0

data_Be2CuHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.2
_cell_length_c   4.77
_cell_angle_alpha   99.91
_cell_angle_beta   90.0
_cell_angle_gamma   109.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuHg
_chemical_formula_sum   'Be2 Cu1 Hg1'
_cell_volume   52.88
_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  0.36  0.21  1.0
  Be  Be1  1  0.0  0.61  0.1  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.48  0.65  1.0

Be Be Cu Hg