data_LaMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2As
_chemical_formula_sum   'La1 Mo2 As1'
_cell_volume   79.16
_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  0.73  0.0  0.25  1.0
  Mo  Mo2  1  0.0  0.0  0.74  1.0
  Mo  Mo3  1  0.73  0.0  0.84  1.0
  As  As0  1  0.0  0.0  0.86  1.0

data_LaMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2As
_chemical_formula_sum   'La1 Mo2 As1'
_cell_volume   79.16
_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  0.73  0.0  0.25  1.0
  Mo  Mo1  1  0.0  0.0  0.74  1.0
  Mo  Mo2  1  0.73  0.0  0.84  1.0
  As  As3  1  0.0  0.0  0.86  1.0

La Mo Mo As
La Mo Mo As 0 0 + + o 0 0 o + o 0 0 + o o 0 3 + o - 0 2 o o - 1 2 - o o 1 3 o o o 2 3 + o o 