data_ZrMnBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   17.89
_cell_angle_beta   17.89
_cell_angle_gamma   17.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnBe2
_chemical_formula_sum   'Zr1 Mn1 Be2'
_cell_volume   52.61
_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
  Zr  Zr3  1  0.0  0.0  0.71  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.67  1.0
  Be  Be1  1  0.0  0.0  0.74  1.0

data_ZrMnBe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   2.68
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnBe2
_chemical_formula_sum   'Zr2 Mn2 Be4'
_cell_volume   105.21
_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
  Zr  Zr0  2  -0.0  0.0  0.29  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Be  Be2  2  -0.0  0.0  0.26  1.0
  Be  Be3  2  -0.0  0.0  0.33  1.0

Zr Mn Be Be