data_[La8Zr8Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5540]
_cell_length_b [4.4465]
_cell_length_c [7.1665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaZrCo]
_chemical_formula_sum '[La8 Zr8 Co8]'
_cell_volume [589.9832]
_cell_formula_units_Z [8]
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
[
  La  La0  4  0.0655  0.0000  0.3230  1
  La  La1  4  0.0903  0.5000  0.8483  1
  Zr  Zr2  4  0.2133  0.0000  0.6282  1
  Zr  Zr3  4  0.2196  0.0000  0.1097  1
  Co  Co4  4  0.1563  0.5000  0.1905  1
  Co  Co5  4  0.1588  0.5000  0.5128  1
]