data_LaCr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   147.27
_cell_angle_beta   135.94
_cell_angle_gamma   55.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2As
_chemical_formula_sum   'La1 Cr2 As1'
_cell_volume   67.91
_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  0.13  0.05  1.0
  Cr  Cr1  1  0.0  0.13  0.82  1.0
  Cr  Cr2  1  0.0  0.0  0.34  1.0
  As  As0  1  0.0  0.0  0.81  1.0

data_LaCr2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.25
_cell_length_c   5.67
_cell_angle_alpha   112.03
_cell_angle_beta   106.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2As
_chemical_formula_sum   'La1 Cr2 As1'
_cell_volume   67.91
_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  0.95  0.08  0.08  1.0
  Cr  Cr1  1  0.18  0.31  0.31  1.0
  Cr  Cr2  1  0.66  0.66  0.66  1.0
  As  As3  1  0.19  0.19  0.19  1.0

La Cr Cr As