data_MgCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.17
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoSi2
_chemical_formula_sum   'Mg1 Co1 Si2'
_cell_volume   56.67
_cell_formula_units_Z   1
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  Mg1  1  0.0  0.0  0.56  1.0
  Co  Co0  1  0.48  0.58  0.45  1.0
  Si  Si2  1  0.48  0.58  0.79  1.0
  Si  Si3  1  0.0  0.0  0.32  1.0

data_MgCoSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.17
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoSi2
_chemical_formula_sum   'Mg1 Co1 Si2'
_cell_volume   56.67
_cell_formula_units_Z   1
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  1  0.0  0.0  0.56  1.0
  Co  Co1  1  0.48  0.58  0.45  1.0
  Si  Si2  1  0.0  0.0  0.32  1.0
  Si  Si3  1  0.48  0.58  0.79  1.0

Mg Co Si Si
Mg Co Si Si 0 3 o o o 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 2 o - o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + + o 1 2 o o o 