data_Zr2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   147.12
_cell_angle_beta   136.23
_cell_angle_gamma   55.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoSi
_chemical_formula_sum   'Zr2 Co1 Si1'
_cell_volume   69.01
_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
  Zr  Zr2  1  0.61  0.0  0.04  1.0
  Zr  Zr3  1  0.0  0.0  0.76  1.0
  Co  Co0  1  0.0  0.12  0.25  1.0
  Si  Si1  1  0.0  0.0  0.03  1.0

data_Zr2CoSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.25
_cell_length_c   5.7
_cell_angle_alpha   111.89
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoSi
_chemical_formula_sum   'Zr2 Co1 Si1'
_cell_volume   69.01
_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
  Zr  Zr0  1  0.0  0.04  0.42  1.0
  Zr  Zr1  1  0.0  0.76  0.76  1.0
  Co  Co2  1  0.88  0.12  0.12  1.0
  Si  Si3  1  0.0  0.03  0.03  1.0

Zr Zr Co Si
Zr Zr Co Si 0 2 + o o 1 3 o o + 2 3 o o o 