data_La2CuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   41.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuAs
_chemical_formula_sum   'La2 Cu1 As1'
_cell_volume   103.3
_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  0.17  1.0
  La  La3  1  0.15  0.0  0.25  1.0
  Cu  Cu1  1  0.0  0.0  0.41  1.0
  As  As0  1  0.15  0.0  0.06  1.0

data_La2CuAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.29
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuAs
_chemical_formula_sum   'La2 Cu1 As1'
_cell_volume   103.3
_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  0.75  0.15  0.75  1.0
  La  La1  1  0.83  0.0  0.83  1.0
  Cu  Cu2  1  0.59  0.0  0.59  1.0
  As  As3  1  0.94  0.15  0.94  1.0

La La Cu As
La La Cu As 0 3 o o o 0 1 o o o 1 2 o o o 