data_LaTaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   30.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaCu2
_chemical_formula_sum   'La1 Ta1 Cu2'
_cell_volume   77.06
_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  La2  1  0.0  0.0  0.22  1.0
  Ta  Ta3  1  0.1  0.0  0.69  1.0
  Cu  Cu0  1  0.0  0.0  0.24  1.0
  Cu  Cu1  1  0.1  0.0  0.64  1.0

data_LaTaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.2
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaCu2
_chemical_formula_sum   'La1 Ta1 Cu2'
_cell_volume   77.06
_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  0.78  0.0  0.78  1.0
  Ta  Ta1  1  0.31  0.1  0.31  1.0
  Cu  Cu2  1  0.36  0.1  0.36  1.0
  Cu  Cu3  1  0.76  0.0  0.76  1.0

La Ta Cu Cu