data_LaCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.16
_cell_angle_alpha   125.29
_cell_angle_beta   125.29
_cell_angle_gamma   50.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuAs2
_chemical_formula_sum   'La1 Cu1 As2'
_cell_volume   88.86
_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  0.5  0.0  0.37  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.41  0.0  0.9  1.0
  As  As1  1  0.6  0.0  0.84  1.0

data_LaCuAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.94
_cell_length_c   5.21
_cell_angle_alpha   74.68
_cell_angle_beta   66.27
_cell_angle_gamma   64.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuAs2
_chemical_formula_sum   'La1 Cu1 As2'
_cell_volume   88.86
_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  0.13  0.37  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.5  0.9  1.0
  As  As3  1  0.0  0.76  0.84  1.0

La Cu As As