data_LiCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.01
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2As
_chemical_formula_sum   'Li1 Co2 As1'
_cell_volume   50.01
_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
  Li  Li3  1  0.61  0.0  0.41  1.0
  Co  Co1  1  0.47  0.0  0.09  1.0
  Co  Co2  1  0.88  0.0  0.93  1.0
  As  As0  1  0.22  0.0  0.39  1.0

data_LiCo2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   4.01
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiCo2As
_chemical_formula_sum   'Li1 Co2 As1'
_cell_volume   50.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.61  0.0  0.41  1.0
  Co  Co1  1  0.47  0.0  0.09  1.0
  Co  Co2  1  0.88  0.0  0.93  1.0
  As  As3  1  0.22  0.0  0.39  1.0

Li Co Co As
Li Co Co As 0 3 o o o 0 1 o o o 1 2 - o - 1 2 o o - 1 3 o o o 