data_[Zr6Co4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2437]
_cell_length_b [4.0148]
_cell_length_c [7.7393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3(CoGe2)2]
_chemical_formula_sum '[Zr6 Co4 Ge8]'
_cell_volume [300.2591]
_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
[
  Zr  Zr0  4  0.1274  0.5000  0.6912  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.1924  0.5000  0.3724  1.0
  Ge  Ge3  4  0.0835  0.0000  0.3935  1.0
  Ge  Ge4  4  0.2052  0.5000  0.0771  1.0
]