data_La2ZrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   4.5
_cell_angle_alpha   107.21
_cell_angle_beta   107.21
_cell_angle_gamma   31.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrAs
_chemical_formula_sum   'La2 Zr1 As1'
_cell_volume   106.95
_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  0.08  0.0  0.84  1.0
  La  La2  1  0.96  0.0  0.44  1.0
  Zr  Zr3  1  0.02  0.0  0.14  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_La2ZrAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.5
_cell_length_c   6.97
_cell_angle_alpha   107.21
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrAs
_chemical_formula_sum   'La2 Zr1 As1'
_cell_volume   106.95
_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  0.44  0.96  1.0
  La  La1  1  0.0  0.84  0.08  1.0
  Zr  Zr2  1  0.0  0.14  0.02  1.0
  As  As3  1  0.0  0.0  0.0  1.0

La La Zr As