data_LiZr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   146.87
_cell_angle_beta   132.44
_cell_angle_gamma   59.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2Co
_chemical_formula_sum   'Li1 Zr2 Co1'
_cell_volume   70.49
_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
  Li  Li1  1  0.0  0.0  0.06  1.0
  Zr  Zr2  1  0.0  0.26  0.04  1.0
  Zr  Zr3  1  0.0  0.0  0.68  1.0
  Co  Co0  1  0.0  0.26  0.85  1.0

data_LiZr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.52
_cell_length_c   5.61
_cell_angle_alpha   113.78
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2Co
_chemical_formula_sum   'Li1 Zr2 Co1'
_cell_volume   70.49
_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
  Li  Li0  1  0.94  0.94  0.94  1.0
  Zr  Zr1  1  0.32  0.32  0.32  1.0
  Zr  Zr2  1  0.96  0.22  0.22  1.0
  Co  Co3  1  0.15  0.41  0.41  1.0

Li Zr Zr Co