data_LiZrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.91
_cell_length_c   7.91
_cell_angle_alpha   22.16
_cell_angle_beta   22.16
_cell_angle_gamma   22.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrCo2
_chemical_formula_sum   'Li1 Zr1 Co2'
_cell_volume   61.73
_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  Li2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.57  1.0
  Co  Co0  1  0.0  0.0  0.38  1.0
  Co  Co1  1  0.0  0.0  0.76  1.0

data_LiZrCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   102.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZrCo2
_chemical_formula_sum   'Li2 Zr2 Co4'
_cell_volume   123.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.43  1.0
  Co  Co2  2  0.0  0.0  0.24  1.0
  Co  Co3  2  0.0  0.0  0.62  1.0

Li Zr Co Co