data_LaMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.99
_cell_angle_alpha   108.86
_cell_angle_beta   108.86
_cell_angle_gamma   54.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMoAs2
_chemical_formula_sum   'La1 Mo1 As2'
_cell_volume   89.48
_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  0.5  0.0  0.36  1.0
  Mo  Mo3  1  0.84  0.0  0.36  1.0
  As  As0  1  0.87  0.0  0.29  1.0
  As  As1  1  0.74  0.0  0.26  1.0

data_LaMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.11
_cell_length_c   6.87
_cell_angle_alpha   74.33
_cell_angle_beta   74.14
_cell_angle_gamma   62.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMoAs2
_chemical_formula_sum   'La1 Mo1 As2'
_cell_volume   89.48
_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  0.14  0.36  1.0
  Mo  Mo1  1  0.0  0.48  0.36  1.0
  As  As2  1  0.0  0.48  0.26  1.0
  As  As3  1  0.0  0.58  0.29  1.0

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