data_LaCr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2As
_chemical_formula_sum   'La1 Cr2 As1'
_cell_volume   69.7
_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  0.0  0.03  1.0
  Cr  Cr1  1  0.69  0.0  0.66  1.0
  Cr  Cr2  1  0.69  0.0  0.4  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_LaCr2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2As
_chemical_formula_sum   'La1 Cr2 As1'
_cell_volume   69.7
_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  0.0  0.03  1.0
  Cr  Cr1  1  0.69  0.0  0.4  1.0
  Cr  Cr2  1  0.69  0.0  0.66  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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