data_[Mg2Co2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  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 [4.4748]
_cell_length_b [3.9351]
_cell_length_c [6.8714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgCoSi2]
_chemical_formula_sum '[Mg2 Co2 Si4]'
_cell_volume [119.7187]
_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
[
  Mg  Mg0  2  0.4733  0.7500  0.8067  1.0
  Co  Co1  2  0.3203  0.7500  0.4068  1.0
  Si  Si2  2  0.0525  0.7500  0.1023  1.0
  Si  Si3  2  0.1680  0.2500  0.5321  1.0
]