[CIF]
data_ZrSc4Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76959108
_cell_length_b   5.76959108
_cell_length_c   5.76959108
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc4Be
_chemical_formula_sum   'Zr1 Sc4 Be1'
_cell_volume   135.80635838
_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  0.00000000  0.00000000  0.00000000  1
  Sc  Sc1  1  3.06152219  5.09791177  5.09791177  1
  Sc  Sc2  1  5.09791177  5.09791177  3.06152219  1
  Sc  Sc3  1  5.09791177  3.06152219  5.09791177  1
  Sc  Sc4  1  3.06152219  3.06152219  3.06152219  1
  Zr  Zr5  1  6.11957547  6.11957547  6.11957547  1
[/CIF]
