data_LaCr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   143.99
_cell_angle_beta   126.53
_cell_angle_gamma   66.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Cu
_chemical_formula_sum   'La1 Cr2 Cu1'
_cell_volume   69.0
_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  0.38  0.41  1.0
  Cr  Cr0  1  0.0  0.0  0.36  1.0
  Cr  Cr1  1  0.64  0.0  0.78  1.0
  Cu  Cu2  1  0.0  0.0  0.31  1.0

data_LaCr2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.76
_cell_length_c   5.29
_cell_angle_alpha   116.74
_cell_angle_beta   108.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Cu
_chemical_formula_sum   'La1 Cr2 Cu1'
_cell_volume   69.0
_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  0.59  0.97  0.97  1.0
  Cr  Cr1  1  0.64  0.64  0.64  1.0
  Cr  Cr2  1  0.85  0.22  0.85  1.0
  Cu  Cu3  1  0.69  0.69  0.69  1.0

La Cr Cr Cu