data_[Zr4Co2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4470]
_cell_length_b [3.7601]
_cell_length_c [7.4172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2CoSi]
_chemical_formula_sum '[Zr4 Co2 Si2]'
_cell_volume [142.1120]
_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  2  0.2113  0.7500  0.4417  1.0
  Zr  Zr1  2  0.2138  0.7500  0.9104  1.0
  Co  Co2  2  0.3605  0.2500  0.7122  1.0
  Si  Si3  2  0.3434  0.2500  0.2094  1.0
]