data_LaMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.91
_cell_angle_alpha   111.66
_cell_angle_beta   111.66
_cell_angle_gamma   58.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2As
_chemical_formula_sum   'La1 Mo2 As1'
_cell_volume   87.2
_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  0.02  0.0  0.03  1.0
  Mo  Mo2  1  0.0  0.0  0.68  1.0
  Mo  Mo3  1  0.07  0.0  0.34  1.0
  As  As0  1  0.56  0.0  0.98  1.0

data_LaMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.37
_cell_length_c   5.91
_cell_angle_alpha   68.32
_cell_angle_beta   68.76
_cell_angle_gamma   60.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2As
_chemical_formula_sum   'La1 Mo2 As1'
_cell_volume   87.2
_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  0.0  0.99  0.03  1.0
  Mo  Mo1  1  0.0  0.32  0.68  1.0
  Mo  Mo2  1  0.0  0.73  0.34  1.0
  As  As3  1  0.0  0.58  0.98  1.0

La Mo Mo As