data_[Zr1Be2Co1]
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 [P4mm]
_cell_length_a [2.8303]
_cell_length_b [2.8303]
_cell_length_c [6.1885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ZrBe2Co]
_chemical_formula_sum '[Zr1 Be2 Co1]'
_cell_volume [49.5743]
_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  0.5000  0.5000  0.7338  1
  Be  Be1  1  0.0000  0.0000  0.0704  1
  Be  Be2  1  0.5000  0.5000  0.2594  1
  Co  Co3  1  0.0000  0.0000  0.4363  1
]