data_[Th2Zr2Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1066]
_cell_length_b [3.5656]
_cell_length_c [10.0470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ThZrCo2]
_chemical_formula_sum '[Th2 Zr2 Co4]'
_cell_volume [147.1110]
_cell_formula_units_Z [2]
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
[
  Th  Th0  2  0.5000  0.0000  0.9795  1
  Zr  Zr1  2  0.0000  0.0000  0.2571  1
  Co  Co2  2  0.0000  0.0000  0.5399  1
  Co  Co3  2  0.5000  0.0000  0.7106  1
]