data_Mg2ZrBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.89
_cell_angle_alpha   113.61
_cell_angle_beta   113.61
_cell_angle_gamma   28.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrBe
_chemical_formula_sum   'Mg2 Zr1 Be1'
_cell_volume   73.86
_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
  Mg  Mg1  1  0.71  0.0  0.51  1.0
  Mg  Mg2  1  0.7  0.0  0.94  1.0
  Zr  Zr3  1  0.7  0.0  0.23  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Mg2ZrBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.89
_cell_length_c   5.9
_cell_angle_alpha   113.61
_cell_angle_beta   104.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrBe
_chemical_formula_sum   'Mg2 Zr1 Be1'
_cell_volume   73.86
_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
  Mg  Mg0  1  0.0  0.51  0.71  1.0
  Mg  Mg1  1  0.0  0.94  0.7  1.0
  Zr  Zr2  1  0.0  0.23  0.7  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Mg Mg Zr Be