data_LaCoCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.3
_cell_angle_alpha   109.39
_cell_angle_beta   109.39
_cell_angle_gamma   40.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoCu2
_chemical_formula_sum   'La1 Co1 Cu2'
_cell_volume   67.44
_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
  La  La3  1  0.99  0.0  0.01  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.36  0.0  0.27  1.0
  Cu  Cu2  1  0.63  0.0  0.75  1.0

data_LaCoCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.3
_cell_length_c   5.07
_cell_angle_alpha   109.39
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoCu2
_chemical_formula_sum   'La1 Co1 Cu2'
_cell_volume   67.44
_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
  La  La0  1  0.0  0.01  0.99  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.27  0.36  1.0
  Cu  Cu3  1  0.0  0.75  0.63  1.0

La Co Cu Cu