data_LaCrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.69
_cell_angle_alpha   105.12
_cell_angle_beta   105.12
_cell_angle_gamma   54.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrAs2
_chemical_formula_sum   'La1 Cr1 As2'
_cell_volume   86.37
_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  La3  1  0.12  0.0  0.68  1.0
  Cr  Cr2  1  0.45  0.0  0.56  1.0
  As  As0  1  0.19  0.0  0.06  1.0
  As  As1  1  0.21  0.0  0.7  1.0

data_LaCrAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.08
_cell_length_c   6.69
_cell_angle_alpha   105.12
_cell_angle_beta   90.0
_cell_angle_gamma   117.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrAs2
_chemical_formula_sum   'La1 Cr1 As2'
_cell_volume   86.37
_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  0.88  0.32  1.0
  Cr  Cr1  1  0.0  0.55  0.44  1.0
  As  As2  1  0.0  0.79  0.3  1.0
  As  As3  1  0.0  0.81  0.94  1.0

La Cr As As