data_LaCrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   152.51
_cell_angle_beta   148.97
_cell_angle_gamma   41.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrAs2
_chemical_formula_sum   'La1 Cr1 As2'
_cell_volume   82.65
_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  0.0  0.88  0.64  1.0
  Cr  Cr2  1  0.0  0.0  0.97  1.0
  As  As0  1  0.0  0.0  0.27  1.0
  As  As1  1  0.67  0.0  0.25  1.0

data_LaCrAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.76
_cell_length_c   7.03
_cell_angle_alpha   105.52
_cell_angle_beta   103.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrAs2
_chemical_formula_sum   'La1 Cr1 As2'
_cell_volume   82.65
_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  0.12  0.76  0.76  1.0
  Cr  Cr1  1  0.0  0.97  0.97  1.0
  As  As2  1  0.0  0.25  0.58  1.0
  As  As3  1  0.0  0.27  0.27  1.0

La Cr As As