data_[Zr12Be8Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.4712]
_cell_length_b [3.8463]
_cell_length_c [9.8244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Zr3Be2Co]
_chemical_formula_sum '[Zr12 Be8 Co4]'
_cell_volume [395.6766]
_cell_formula_units_Z [4]
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  4  0.0413  0.2500  0.3721  1
  Zr  Zr1  4  0.1216  0.7500  0.9283  1
  Zr  Zr2  4  0.2218  0.2500  0.6928  1
  Be  Be3  4  0.0213  0.7500  0.1871  1
  Be  Be4  4  0.1925  0.7500  0.4840  1
  Co  Co5  4  0.1262  0.2500  0.1174  1
]