data_LaCuMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   142.41
_cell_angle_beta   125.67
_cell_angle_gamma   67.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuMo2
_chemical_formula_sum   'La1 Cu1 Mo2'
_cell_volume   78.2
_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  La1  1  0.0  0.48  0.35  1.0
  Cu  Cu0  1  0.0  0.0  0.35  1.0
  Mo  Mo2  1  0.0  0.0  0.27  1.0
  Mo  Mo3  1  0.75  0.0  0.04  1.0

data_LaCuMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.96
_cell_length_c   5.43
_cell_angle_alpha   117.17
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuMo2
_chemical_formula_sum   'La1 Cu1 Mo2'
_cell_volume   78.2
_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  0.65  0.13  0.13  1.0
  Cu  Cu1  1  0.65  0.65  0.65  1.0
  Mo  Mo2  1  0.71  0.96  0.71  1.0
  Mo  Mo3  1  0.73  0.73  0.73  1.0

La Cu Mo Mo