data_Nb2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   140.34
_cell_angle_beta   130.97
_cell_angle_gamma   64.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoSi
_chemical_formula_sum   'Nb2 Co1 Si1'
_cell_volume   58.41
_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
  Nb  Nb1  1  0.69  0.0  0.14  1.0
  Nb  Nb2  1  0.0  0.06  0.06  1.0
  Co  Co0  1  0.0  0.0  0.2  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Nb2CoSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.13
_cell_length_c   4.97
_cell_angle_alpha   114.51
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoSi
_chemical_formula_sum   'Nb2 Co1 Si1'
_cell_volume   58.41
_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
  Nb  Nb0  1  0.55  0.86  0.55  1.0
  Nb  Nb1  1  0.94  0.01  0.01  1.0
  Co  Co2  1  0.8  0.8  0.8  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Nb Nb Co Si