data_Zr2MnBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   136.79
_cell_angle_beta   136.79
_cell_angle_gamma   62.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnBe
_chemical_formula_sum   'Zr2 Mn1 Be1'
_cell_volume   64.88
_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
  Zr  Zr2  1  0.0  0.0  0.43  1.0
  Zr  Zr3  1  0.0  0.91  0.22  1.0
  Mn  Mn1  1  0.91  0.0  0.22  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Zr2MnBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.19
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnBe
_chemical_formula_sum   'Zr2 Mn1 Be1'
_cell_volume   64.88
_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
  Zr  Zr0  1  0.3  0.22  0.3  1.0
  Zr  Zr1  1  0.43  0.43  0.43  1.0
  Mn  Mn2  1  0.22  0.3  0.3  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Zr Zr Mn Be
Zr Zr Mn Be 0 2 - o o 0 1 o - o 1 2 - + o 1 3 o + o 2 3 + o o 