data_La2CrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrAs
_chemical_formula_sum   'La2 Cr1 As1'
_cell_volume   95.53
_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  0.0  0.47  0.97  1.0
  La  La3  1  0.47  0.0  0.97  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.47  0.47  0.0  1.0

data_La2CrAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2CrAs
_chemical_formula_sum   'La4 Cr2 As2'
_cell_volume   191.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.23  0.23  0.97  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.47  0.0  0.0  1.0

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